1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid

C18H25NO2 — CID 117463979

IUPAC1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2C2CCNCC2)CCCCC1
InChIInChI=1S/C18H25NO2/c20-17(21)18(10-4-1-5-11-18)16-7-3-2-6-15(16)14-8-12-19-13-9-14/h2-3,6-7,14,19H,1,4-5,8-13H2,(H,20,21)
InChIKeyXPOUMMUQBKPWLO-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.44
Rot. Bonds3

About 1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid

1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117463979) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117463979
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2C2CCNCC2)CCCCC1
InChIInChI=1S/C18H25NO2/c20-17(21)18(10-4-1-5-11-18)16-7-3-2-6-15(16)14-8-12-19-13-9-14/h2-3,6-7,14,19H,1,4-5,8-13H2,(H,20,21)
InChIKeyXPOUMMUQBKPWLO-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-piperidin-4-ylphenyl)cyclobutane-1-carboxylic acid
CID 117402401
1-(2-cyclobutylphenyl)cyclopentane-1-carboxylic acid
CID 117362898
1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid
CID 117399697
1-(2-cyclohexylphenyl)cyclopropane-1-carboxylic acid
CID 117362895
1-[2-(oxan-4-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117466009
1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclopentane-1-carboxylic acid
CID 117484269
1-[2-(1-methylazetidin-3-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117436365
1-[2-(oxan-4-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117367993
[1-(2-piperidin-4-ylphenyl)cyclopropyl]methanol
CID 117116545
1-[2-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117436356
1-[2-(4-tert-butylcyclohexyl)phenyl]cyclopropane-1-carboxylic acid
CID 117484282
1-(2-aminophenyl)cyclohexane-1-carboxylic acid
CID 106702481

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid (CID 117463979) is 1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid is O=C(O)C1(c2ccccc2C2CCNCC2)CCCCC1.
What is the InChIKey of 1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is XPOUMMUQBKPWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-17(21)18(10-4-1-5-11-18)16-7-3-2-6-15(16)14-8-12-19-13-9-14/h2-3,6-7,14,19H,1,4-5,8-13H2,(H,20,21).
What are the key properties of 1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid?
1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 287.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117463979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).