1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid

C20H23NO3 — CID 3881727

IUPAC1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(C(c2ccccc2)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C20H23NO3/c1-24-17-12-10-16(11-13-17)19(15-7-3-2-4-8-15)21-14-6-5-9-18(21)20(22)23/h2-4,7-8,10-13,18-19H,5-6,9,14H2,1H3,(H,22,23)
InChIKeyOLNMDCLUBJWQKY-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.72
Rot. Bonds5

About 1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid

1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid (PubChem CID 3881727) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
PubChem CID3881727
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(C(c2ccccc2)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C20H23NO3/c1-24-17-12-10-16(11-13-17)19(15-7-3-2-4-8-15)21-14-6-5-9-18(21)20(22)23/h2-4,7-8,10-13,18-19H,5-6,9,14H2,1H3,(H,22,23)
InChIKeyOLNMDCLUBJWQKY-UHFFFAOYSA-N
XLogP3.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4539396
1-[1,3-benzothiazol-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3894473
1-[furan-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4203108
1-[(4-methoxyphenyl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid
CID 3894359
1-[(4-fluorophenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3995411
1-[(3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 5219187
1-[(3-fluoro-4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 4202858
1-[(4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 3368599
1-[(4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 5001366
1-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 3946231
1-[(4-ethoxy-3-methoxyphenyl)-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4299590
1-[(2,5-dimethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-2-carboxylic acid
CID 5040339

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid (CID 3881727) is 1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid is COc1ccc(C(c2ccccc2)N2CCCCC2C(=O)O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid?
The InChIKey is OLNMDCLUBJWQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-24-17-12-10-16(11-13-17)19(15-7-3-2-4-8-15)21-14-6-5-9-18(21)20(22)23/h2-4,7-8,10-13,18-19H,5-6,9,14H2,1H3,(H,22,23).
What are the key properties of 1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid?
1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3881727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).