1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid

C17H25NO2 — CID 5196353

IUPAC1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(C(CC)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H25NO2/c1-3-13-5-7-14(8-6-13)16(4-2)18-11-9-15(10-12-18)17(19)20/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,19,20)
InChIKeyAWBXQBQISGWCBC-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.50
Rot. Bonds5

About 1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid

1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid (PubChem CID 5196353) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid
PubChem CID5196353
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(C(CC)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H25NO2/c1-3-13-5-7-14(8-6-13)16(4-2)18-11-9-15(10-12-18)17(19)20/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,19,20)
InChIKeyAWBXQBQISGWCBC-UHFFFAOYSA-N
XLogP3.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dimethoxyphenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
CID 3673756
1-(1-phenylbutyl)piperidine-4-carboxylic acid
CID 65056613
1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
CID 3954071
1-[(2,6-dimethoxyphenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
CID 3347504
1-[1,3-benzodioxol-5-yl-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
CID 4216730
1-[(4-ethylphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3921354
1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid
CID 4681970
1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid
CID 4664073
1-[(2,5-dimethoxyphenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
CID 3877249
1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 4223664
2-(4-ethylphenyl)-2-piperidin-1-ylethanol
CID 54775819
1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid
CID 5013818

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid (CID 5196353) is 1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid is CCc1ccc(C(CC)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid?
The InChIKey is AWBXQBQISGWCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-13-5-7-14(8-6-13)16(4-2)18-11-9-15(10-12-18)17(19)20/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,19,20).
What are the key properties of 1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid?
1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 5196353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).