4-(4-propylphenyl)piperidine-1-carboxylic acid

C15H21NO2 — CID 90967974

IUPAC4-(4-propylphenyl)piperidine-1-carboxylic acid
SMILESCCCc1ccc(C2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C15H21NO2/c1-2-3-12-4-6-13(7-5-12)14-8-10-16(11-9-14)15(17)18/h4-7,14H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyAJKDGBKGWKCEQU-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.50
Rot. Bonds3

About 4-(4-propylphenyl)piperidine-1-carboxylic acid

4-(4-propylphenyl)piperidine-1-carboxylic acid (PubChem CID 90967974) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(4-propylphenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-propylphenyl)piperidine-1-carboxylic acid
PubChem CID90967974
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-(4-propylphenyl)piperidine-1-carboxylic acid
SMILESCCCc1ccc(C2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C15H21NO2/c1-2-3-12-4-6-13(7-5-12)14-8-10-16(11-9-14)15(17)18/h4-7,14H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyAJKDGBKGWKCEQU-UHFFFAOYSA-N
XLogP3.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide
CID 123545257
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
(E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid
CID 67642965
4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid
CID 117408104
2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride
CID 141237410
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
3-(4-propylphenyl)cyclopentane-1-carbonyl chloride
CID 154308321
2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 13249816
4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid
CID 166759957
(E)-4-[4-(4-propylphenyl)cyclohexyl]pent-2-enoic acid
CID 67642998
4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid
CID 150860508
4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid
CID 66622737

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-propylphenyl)piperidine-1-carboxylic acid (CID 90967974) is 4-(4-propylphenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-propylphenyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-propylphenyl)piperidine-1-carboxylic acid is CCCc1ccc(C2CCN(C(=O)O)CC2)cc1.
What is the InChIKey of 4-(4-propylphenyl)piperidine-1-carboxylic acid?
The InChIKey is AJKDGBKGWKCEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-3-12-4-6-13(7-5-12)14-8-10-16(11-9-14)15(17)18/h4-7,14H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of 4-(4-propylphenyl)piperidine-1-carboxylic acid?
4-(4-propylphenyl)piperidine-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 90967974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).