1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid

C20H23NO2 — CID 23157106

IUPAC1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid
SMILESCc1ccccc1C1CCN(Cc2ccccc2)CC1C(=O)O
InChIInChI=1S/C20H23NO2/c1-15-7-5-6-10-17(15)18-11-12-21(14-19(18)20(22)23)13-16-8-3-2-4-9-16/h2-10,18-19H,11-14H2,1H3,(H,22,23)
InChIKeyLMZWADXWWHEZAS-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.69
Rot. Bonds4

About 1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid

1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid (PubChem CID 23157106) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid
PubChem CID23157106
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid
SMILESCc1ccccc1C1CCN(Cc2ccccc2)CC1C(=O)O
InChIInChI=1S/C20H23NO2/c1-15-7-5-6-10-17(15)18-11-12-21(14-19(18)20(22)23)13-16-8-3-2-4-9-16/h2-10,18-19H,11-14H2,1H3,(H,22,23)
InChIKeyLMZWADXWWHEZAS-UHFFFAOYSA-N
XLogP3.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol
CID 141122273
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270
methyl (3S,4R)-1-benzyl-4-(2-methylphenyl)pyrrolidine-3-carboxylate
CID 59563644
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
1-benzyl-3-phenylpiperidine-4-carboxylic acid
CID 3345807
(3S,4R)-4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid
CID 70722013
(4R)-4-(2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 71164310
(3R,4R)-4-(2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 58248370
1-benzyl-4-(2-iodophenyl)pyrrolidine-3-carboxylic acid
CID 75217579
(3S,4S)-1-benzyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124708767
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
(3S,4R)-1-benzyl-4-(2-tert-butylphenyl)pyrrolidine-3-carboxylic acid
CID 71650307

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid (CID 23157106) is 1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid is Cc1ccccc1C1CCN(Cc2ccccc2)CC1C(=O)O.
What is the InChIKey of 1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid?
The InChIKey is LMZWADXWWHEZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-7-5-6-10-17(15)18-11-12-21(14-19(18)20(22)23)13-16-8-3-2-4-9-16/h2-10,18-19H,11-14H2,1H3,(H,22,23).
What are the key properties of 1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid?
1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid has a molecular weight of 309.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 23157106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).