1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid

C16H23NO2 — CID 82485246

IUPAC1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C)c(CCN2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C16H23NO2/c1-12-3-4-13(2)15(11-12)7-10-17-8-5-14(6-9-17)16(18)19/h3-4,11,14H,5-10H2,1-2H3,(H,18,19)
InChIKeyXWVQOKICOQIEFY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.64
Rot. Bonds4

About 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid

1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid (PubChem CID 82485246) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid
PubChem CID82485246
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C)c(CCN2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C16H23NO2/c1-12-3-4-13(2)15(11-12)7-10-17-8-5-14(6-9-17)16(18)19/h3-4,11,14H,5-10H2,1-2H3,(H,18,19)
InChIKeyXWVQOKICOQIEFY-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-4-carboxylic acid
CID 82255447
3-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]propanoic acid
CID 136526221
2-[2-(2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83928194
1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid
CID 95404988
1-[2-(3,4-dimethylphenyl)sulfanylethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907692
1-[3-(3-methylphenoxy)propyl]piperidine-4-carboxylic acid
CID 43441464
(4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone
CID 141222160
1-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]piperidine-4-carboxylic acid
CID 119349394
2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]acetic acid
CID 166208496
1-[2-(3-bromophenyl)ethyl]piperidine-4-carboxylic acid
CID 95404985
1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907840
N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide
CID 22294993

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid (CID 82485246) is 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid is Cc1ccc(C)c(CCN2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is XWVQOKICOQIEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-3-4-13(2)15(11-12)7-10-17-8-5-14(6-9-17)16(18)19/h3-4,11,14H,5-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid?
1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 261.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82485246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).