1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid

C21H24ClNO2 — CID 3954071

IUPAC1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(C(c2cccc(Cl)c2)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C21H24ClNO2/c1-2-15-6-8-16(9-7-15)20(18-4-3-5-19(22)14-18)23-12-10-17(11-13-23)21(24)25/h3-9,14,17,20H,2,10-13H2,1H3,(H,24,25)
InChIKeySENUBXDVPBDZSU-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.79
Rot. Bonds5

About 1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid

1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 3954071) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID3954071
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(C(c2cccc(Cl)c2)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C21H24ClNO2/c1-2-15-6-8-16(9-7-15)20(18-4-3-5-19(22)14-18)23-12-10-17(11-13-23)21(24)25/h3-9,14,17,20H,2,10-13H2,1H3,(H,24,25)
InChIKeySENUBXDVPBDZSU-UHFFFAOYSA-N
XLogP4.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4254480
1-[1,3-benzodioxol-5-yl-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
CID 4216730
1-[(3,4-dimethoxyphenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
CID 3673756
1-[(2,6-dimethoxyphenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
CID 3347504
1-[(4-ethylphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3921354
1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid
CID 5196353
1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 3912751
1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4598691
1-[(2,5-dimethoxyphenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
CID 3877249
1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3879435
1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 125134350
1-[(3,4-dichlorophenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5030410

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid (CID 3954071) is 1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid is CCc1ccc(C(c2cccc(Cl)c2)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is SENUBXDVPBDZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c1-2-15-6-8-16(9-7-15)20(18-4-3-5-19(22)14-18)23-12-10-17(11-13-23)21(24)25/h3-9,14,17,20H,2,10-13H2,1H3,(H,24,25).
What are the key properties of 1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid?
1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 357.88 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3954071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).