1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid

C21H25NO2 — CID 3879435

IUPAC1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(c2ccc(C)cc2)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C21H25NO2/c1-15-3-7-17(8-4-15)20(18-9-5-16(2)6-10-18)22-13-11-19(12-14-22)21(23)24/h3-10,19-20H,11-14H2,1-2H3,(H,23,24)
InChIKeyZQVUGAJAXLJFSN-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.19
Rot. Bonds4

About 1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid

1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 3879435) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID3879435
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(c2ccc(C)cc2)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C21H25NO2/c1-15-3-7-17(8-4-15)20(18-9-5-16(2)6-10-18)22-13-11-19(12-14-22)21(23)24/h3-10,19-20H,11-14H2,1-2H3,(H,23,24)
InChIKeyZQVUGAJAXLJFSN-UHFFFAOYSA-N
XLogP4.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1,3-benzodioxol-5-yl-(4-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 5022340
1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3572028
1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 3895312
1-[2-amino-1-(4-methylphenyl)-2-sulfanylideneethyl]piperidine-4-carboxylic acid
CID 84758050
1-[(3,5-dimethylphenyl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3878307
1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 5027825
1-[(4-methylphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4034310
1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid
CID 3514597
1-[(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 4241880
1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid
CID 4216734
1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4254480
1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4611423

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid (CID 3879435) is 1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid is Cc1ccc(C(c2ccc(C)cc2)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is ZQVUGAJAXLJFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15-3-7-17(8-4-15)20(18-9-5-16(2)6-10-18)22-13-11-19(12-14-22)21(23)24/h3-10,19-20H,11-14H2,1-2H3,(H,23,24).
What are the key properties of 1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid?
1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 323.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3879435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).