1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid

C16H21NO2 — CID 79982598

IUPAC1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccccc2C2CC2)CC1
InChIInChI=1S/C16H21NO2/c18-16(19)13-7-9-17(10-8-13)11-14-3-1-2-4-15(14)12-5-6-12/h1-4,12-13H,5-11H2,(H,18,19)
InChIKeyCNOKKALDVLGPLI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.86
Rot. Bonds4

About 1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid

1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 79982598) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID79982598
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccccc2C2CC2)CC1
InChIInChI=1S/C16H21NO2/c18-16(19)13-7-9-17(10-8-13)11-14-3-1-2-4-15(14)12-5-6-12/h1-4,12-13H,5-11H2,(H,18,19)
InChIKeyCNOKKALDVLGPLI-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid
CID 79983220
1-[(2-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 3450780
1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 166237351
1-[(2-bromophenyl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904726
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
1-[[4-[1-(2-cyclopropylphenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]piperidine-4-carboxylic acid;formic acid
CID 175535034
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866
1-[(4-phenylsulfanylphenyl)methyl]piperidine-4-carboxylic acid
CID 122035787
1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 114081799
4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
CID 18597617
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid (CID 79982598) is 1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2ccccc2C2CC2)CC1.
What is the InChIKey of 1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is CNOKKALDVLGPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(19)13-7-9-17(10-8-13)11-14-3-1-2-4-15(14)12-5-6-12/h1-4,12-13H,5-11H2,(H,18,19).
What are the key properties of 1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid?
1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 79982598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).