4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid;hydrochloride

C15H22ClNO2 — CID 75419517

IUPAC4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCCc1ccc(CC2(C(=O)O)CCNCC2)cc1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-2-12-3-5-13(6-4-12)11-15(14(17)18)7-9-16-10-8-15;/h3-6,16H,2,7-11H2,1H3,(H,17,18);1H
InChIKeyFANAZPDAZJUUDS-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.67
Rot. Bonds4

About 4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid;hydrochloride

4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 75419517) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
PubChem CID75419517
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCCc1ccc(CC2(C(=O)O)CCNCC2)cc1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-2-12-3-5-13(6-4-12)11-15(14(17)18)7-9-16-10-8-15;/h3-6,16H,2,7-11H2,1H3,(H,17,18);1H
InChIKeyFANAZPDAZJUUDS-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid;hydrochloride (CID 75419517) is 4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid;hydrochloride is CCc1ccc(CC2(C(=O)O)CCNCC2)cc1.Cl.
What is the InChIKey of 4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is FANAZPDAZJUUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-2-12-3-5-13(6-4-12)11-15(14(17)18)7-9-16-10-8-15;/h3-6,16H,2,7-11H2,1H3,(H,17,18);1H.
What are the key properties of 4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid;hydrochloride?
4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)methyl]piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 75419517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).