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

C16H21NO2 — CID 117402401

IUPAC1-(2-piperidin-4-ylphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2C2CCNCC2)CCC1
InChIInChI=1S/C16H21NO2/c18-15(19)16(8-3-9-16)14-5-2-1-4-13(14)12-6-10-17-11-7-12/h1-2,4-5,12,17H,3,6-11H2,(H,18,19)
InChIKeySGYSZTZEPKETLQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.66
Rot. Bonds3

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

1-(2-piperidin-4-ylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117402401) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(2-piperidin-4-ylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-piperidin-4-ylphenyl)cyclobutane-1-carboxylic acid
PubChem CID117402401
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(2-piperidin-4-ylphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2C2CCNCC2)CCC1
InChIInChI=1S/C16H21NO2/c18-15(19)16(8-3-9-16)14-5-2-1-4-13(14)12-6-10-17-11-7-12/h1-2,4-5,12,17H,3,6-11H2,(H,18,19)
InChIKeySGYSZTZEPKETLQ-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid
CID 117463979
1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid
CID 117399697
1-(2-cyclobutylphenyl)cyclopentane-1-carboxylic acid
CID 117362898
1-(2-cyclohexylphenyl)cyclopropane-1-carboxylic acid
CID 117362895
1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclopentane-1-carboxylic acid
CID 117484269
1-[2-(oxan-4-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117466009
1-[2-(oxan-4-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117367993
[1-(2-piperidin-4-ylphenyl)cyclopropyl]methanol
CID 117116545
1-[2-(4-tert-butylcyclohexyl)phenyl]cyclopropane-1-carboxylic acid
CID 117484282
1-[2-(1-methylazetidin-3-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117436365
1-[2-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117436356
4-(2-cyclobutylphenyl)-4-fluoropiperidine
CID 114607386

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-ylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-piperidin-4-ylphenyl)cyclobutane-1-carboxylic acid (CID 117402401) is 1-(2-piperidin-4-ylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-piperidin-4-ylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-piperidin-4-ylphenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2ccccc2C2CCNCC2)CCC1.
What is the InChIKey of 1-(2-piperidin-4-ylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is SGYSZTZEPKETLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-15(19)16(8-3-9-16)14-5-2-1-4-13(14)12-6-10-17-11-7-12/h1-2,4-5,12,17H,3,6-11H2,(H,18,19).
What are the key properties of 1-(2-piperidin-4-ylphenyl)cyclobutane-1-carboxylic acid?
1-(2-piperidin-4-ylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 2.66, 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)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117402401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).