4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid

C21H25NO2 — CID 122657647

IUPAC4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H25NO2/c23-20(24)21(17-19-9-5-2-6-10-19)12-15-22(16-13-21)14-11-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,23,24)
InChIKeyKUHHXPYUWMQPTJ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.64
Rot. Bonds6

About 4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid

4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid (PubChem CID 122657647) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
PubChem CID122657647
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H25NO2/c23-20(24)21(17-19-9-5-2-6-10-19)12-15-22(16-13-21)14-11-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,23,24)
InChIKeyKUHHXPYUWMQPTJ-UHFFFAOYSA-N
XLogP3.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzylcyclopropane-1-carboxylic acid
CID 562561
(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid
CID 34180361
1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid
CID 10037618
4-benzylpiperidine-4-carboxylic acid
CID 18365178
sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride
CID 173365914
4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid
CID 22240726
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
4-benzyl-1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid
CID 22240872
4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 22241020
4-benzyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid
CID 22240979
(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72916080

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid (CID 122657647) is 4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid is O=C(O)C1(Cc2ccccc2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid?
The InChIKey is KUHHXPYUWMQPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-20(24)21(17-19-9-5-2-6-10-19)12-15-22(16-13-21)14-11-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,23,24).
What are the key properties of 4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid?
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid has a molecular weight of 323.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 122657647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).