4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid

C14H19NO2 — CID 69344046

IUPAC4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
SMILESCc1cccc(CC2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C14H19NO2/c1-11-3-2-4-13(9-11)10-12-5-7-15(8-6-12)14(16)17/h2-4,9,12H,5-8,10H2,1H3,(H,16,17)
InChIKeyCKXIUJANHSLUNM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.93
Rot. Bonds2

About 4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid

4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid (PubChem CID 69344046) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
PubChem CID69344046
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
SMILESCc1cccc(CC2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C14H19NO2/c1-11-3-2-4-13(9-11)10-12-5-7-15(8-6-12)14(16)17/h2-4,9,12H,5-8,10H2,1H3,(H,16,17)
InChIKeyCKXIUJANHSLUNM-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone
CID 108996770
4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide
CID 22750837
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
1-(4-benzylpiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one
CID 43904563
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
CID 112969940
1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108979983
4-[(4-bromo-3-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 67000077
4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid
CID 118164700
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid (CID 69344046) is 4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid is Cc1cccc(CC2CCN(C(=O)O)CC2)c1.
What is the InChIKey of 4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid?
The InChIKey is CKXIUJANHSLUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-3-2-4-13(9-11)10-12-5-7-15(8-6-12)14(16)17/h2-4,9,12H,5-8,10H2,1H3,(H,16,17).
What are the key properties of 4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid?
4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69344046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).