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141943-04-6 | 3-Piperidinecarboxylic acid, 1-(phenylmethyl)-
CAS No: 141943-04-6 Catalog No: AG001HFQ MDL No:MFCD03086172
Product Description
Catalog Number:
AG001HFQ
Chemical Name:
3-Piperidinecarboxylic acid, 1-(phenylmethyl)-
CAS Number:
141943-04-6
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD03086172
IUPAC Name:
1-benzylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C13H17NO2/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)
InChI Key:
HGCSHWVOIUCAJN-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)Cc1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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