1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid

C25H26N2O2 — CID 3895312

IUPAC1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(c2ccc(-c3ccccc3)cc2)N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C25H26N2O2/c1-18-7-12-23(26-17-18)24(27-15-13-22(14-16-27)25(28)29)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-12,17,22,24H,13-16H2,1H3,(H,28,29)
InChIKeyXTWPMSCPDCVUTR-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.94
Rot. Bonds5

About 1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid

1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 3895312) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID3895312
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(c2ccc(-c3ccccc3)cc2)N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C25H26N2O2/c1-18-7-12-23(26-17-18)24(27-15-13-22(14-16-27)25(28)29)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-12,17,22,24H,13-16H2,1H3,(H,28,29)
InChIKeyXTWPMSCPDCVUTR-UHFFFAOYSA-N
XLogP4.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3572028
1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid
CID 4216734
1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5136944
1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3879435
1-[(5-methyl-2-pyridinyl)-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5157060
1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3455065
1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 4223664
1-[(4-fluorophenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 4010829
1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3671647
1-[(4-methylphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4034310
1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4693784
1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 5091843

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid (CID 3895312) is 1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid is Cc1ccc(C(c2ccc(-c3ccccc3)cc2)N2CCC(C(=O)O)CC2)nc1.
What is the InChIKey of 1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is XTWPMSCPDCVUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18-7-12-23(26-17-18)24(27-15-13-22(14-16-27)25(28)29)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-12,17,22,24H,13-16H2,1H3,(H,28,29).
What are the key properties of 1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid?
1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 386.50 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3895312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).