1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid

C25H26N2O2 — CID 3568909

IUPAC1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCc1cccc(C(c2ccc(-c3ccccc3)cc2)N2CCCCC2C(=O)O)n1
InChIInChI=1S/C25H26N2O2/c1-18-8-7-11-22(26-18)24(27-17-6-5-12-23(27)25(28)29)21-15-13-20(14-16-21)19-9-3-2-4-10-19/h2-4,7-11,13-16,23-24H,5-6,12,17H2,1H3,(H,28,29)
InChIKeyVTBYAPGCEWQCGV-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.09
Rot. Bonds5

About 1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid

1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 3568909) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID3568909
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCc1cccc(C(c2ccc(-c3ccccc3)cc2)N2CCCCC2C(=O)O)n1
InChIInChI=1S/C25H26N2O2/c1-18-8-7-11-22(26-18)24(27-17-6-5-12-23(27)25(28)29)21-15-13-20(14-16-21)19-9-3-2-4-10-19/h2-4,7-11,13-16,23-24H,5-6,12,17H2,1H3,(H,28,29)
InChIKeyVTBYAPGCEWQCGV-UHFFFAOYSA-N
XLogP5.09
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 4685036
1-[(4-bromophenyl)-(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 4556434
1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 4589544
1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3665423
1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3934336
1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 4983234
1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3926082
1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4557631
1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4009296
1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 3938794
1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 5227464
1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 3881727

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid (CID 3568909) is 1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid is Cc1cccc(C(c2ccc(-c3ccccc3)cc2)N2CCCCC2C(=O)O)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is VTBYAPGCEWQCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18-8-7-11-22(26-18)24(27-17-6-5-12-23(27)25(28)29)21-15-13-20(14-16-21)19-9-3-2-4-10-19/h2-4,7-11,13-16,23-24H,5-6,12,17H2,1H3,(H,28,29).
What are the key properties of 1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid?
1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 386.50 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3568909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).