Home Carboxys 2-Piperidinecarboxylic acid, phenylmethyl ester, hydrochloride, (S)-

2-Piperidinecarboxylic acid, phenylmethyl ester, hydrochloride, (S)-

CAS No.:
149201-79-6
Catalog Number:
AG00HXOX
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
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Product Description
Catalog Number:
AG00HXOX
Chemical Name:
2-Piperidinecarboxylic acid, phenylmethyl ester, hydrochloride, (S)-
CAS Number:
149201-79-6
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
MDL Number:
MFCD28991720
IUPAC Name:
benzyl (2S)-piperidine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C13H17NO2.ClH/c15-13(12-8-4-5-9-14-12)16-10-11-6-2-1-3-7-11;/h1-3,6-7,12,14H,4-5,8-10H2;1H/t12-;/m0./s1
InChI Key:
JPLUTHCQQZSANV-YDALLXLXSA-N
SMILES:
O=C([C@@H]1CCCCN1)OCc1ccccc1.Cl
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
255.103g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.742g/mol
Monoisotopic Mass:
255.103g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties