4-benzylpiperidine-4-carboxylic acid

C13H17NO2 — CID 18365178

IUPAC4-benzylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2)CCNCC1
InChIInChI=1S/C13H17NO2/c15-12(16)13(6-8-14-9-7-13)10-11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,16)
InChIKeyJRXWHKZHPSGMAX-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.68
Rot. Bonds3

About 4-benzylpiperidine-4-carboxylic acid

4-benzylpiperidine-4-carboxylic acid (PubChem CID 18365178) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-benzylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-benzylpiperidine-4-carboxylic acid
PubChem CID18365178
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-benzylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2)CCNCC1
InChIInChI=1S/C13H17NO2/c15-12(16)13(6-8-14-9-7-13)10-11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,16)
InChIKeyJRXWHKZHPSGMAX-UHFFFAOYSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzylcyclopropane-1-carboxylic acid
CID 562561
1-benzyl-4-oxocyclohexane-1-carboxylic acid;ethene
CID 21433580
4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 79422857
3-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 79426364
cis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid
CID 102192714
(4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 22741766
4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid
CID 174550650
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
3-[(3-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63141083
tert-butyl 3-benzylpyrrolidine-3-carboxylate
CID 156631335
4-benzyl-4-fluoropiperidine;ethane
CID 154662481
3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140807

Frequently Asked Questions

What is the IUPAC name of 4-benzylpiperidine-4-carboxylic acid?
The IUPAC name of 4-benzylpiperidine-4-carboxylic acid (CID 18365178) is 4-benzylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-benzylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-benzylpiperidine-4-carboxylic acid is O=C(O)C1(Cc2ccccc2)CCNCC1.
What is the InChIKey of 4-benzylpiperidine-4-carboxylic acid?
The InChIKey is JRXWHKZHPSGMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12(16)13(6-8-14-9-7-13)10-11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,16).
What are the key properties of 4-benzylpiperidine-4-carboxylic acid?
4-benzylpiperidine-4-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylpiperidine-4-carboxylic acid is sourced from PubChem (CID 18365178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).