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

C27H29NO2 — CID 4009296

IUPAC1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCc1ccc(C)c(C(c2ccc(-c3ccccc3)cc2)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C27H29NO2/c1-19-11-12-20(2)24(18-19)26(28-17-7-6-10-25(28)27(29)30)23-15-13-22(14-16-23)21-8-4-3-5-9-21/h3-5,8-9,11-16,18,25-26H,6-7,10,17H2,1-2H3,(H,29,30)
InChIKeyFPZFUDPUYJLCPS-UHFFFAOYSA-N
MW399.53 g/mol
LogP6.00
Rot. Bonds5

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

1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 4009296) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID4009296
Molecular FormulaC27H29NO2
Molecular Weight399.53 g/mol
Exact Mass399.22
IUPAC Name1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCc1ccc(C)c(C(c2ccc(-c3ccccc3)cc2)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C27H29NO2/c1-19-11-12-20(2)24(18-19)26(28-17-7-6-10-25(28)27(29)30)23-15-13-22(14-16-23)21-8-4-3-5-9-21/h3-5,8-9,11-16,18,25-26H,6-7,10,17H2,1-2H3,(H,29,30)
InChIKeyFPZFUDPUYJLCPS-UHFFFAOYSA-N
XLogP6.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
CID 3942508
1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 3938794
1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4557631
1-[(5-bromo-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4268195
1-[(2-bromo-4,5-dimethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4030407
1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 4543661
1-[(5-bromothiophen-2-yl)-(2,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 4032833
1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 3568909
1-[(3-chlorophenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 5023473
1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 4203254
1-[(3-ethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4291092
1-[(4-ethylphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 4011103

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid (CID 4009296) is 1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid is Cc1ccc(C)c(C(c2ccc(-c3ccccc3)cc2)N2CCCCC2C(=O)O)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is FPZFUDPUYJLCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO2/c1-19-11-12-20(2)24(18-19)26(28-17-7-6-10-25(28)27(29)30)23-15-13-22(14-16-23)21-8-4-3-5-9-21/h3-5,8-9,11-16,18,25-26H,6-7,10,17H2,1-2H3,(H,29,30).
What are the key properties of 1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid?
1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 399.53 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4009296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).