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

C15H27NO2 — CID 122125296

IUPAC5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
SMILESCC1CCC(CN2CC(C)CC(C(=O)O)C2)CC1
InChIInChI=1S/C15H27NO2/c1-11-3-5-13(6-4-11)9-16-8-12(2)7-14(10-16)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyFXIDRJWFEFKSBS-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.86
Rot. Bonds3

About 5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid

5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid (PubChem CID 122125296) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
PubChem CID122125296
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
SMILESCC1CCC(CN2CC(C)CC(C(=O)O)C2)CC1
InChIInChI=1S/C15H27NO2/c1-11-3-5-13(6-4-11)9-16-8-12(2)7-14(10-16)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyFXIDRJWFEFKSBS-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-ethylcyclohexyl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125261
5-methyl-1-propylpiperidine-3-carboxylic acid
CID 130942470
(3S,5S)-1-(cyclopropylmethyl)-3,5-dimethylpiperidine
CID 134195604
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid
CID 122121229
(3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid
CID 164643865
(3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol
CID 130856207
5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424
6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122084180
1-but-3-ynyl-5-methylpiperidine-3-carboxylic acid
CID 130804536
1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid
CID 122118851
5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 83998065
(3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol
CID 134203251

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid (CID 122125296) is 5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid is CC1CCC(CN2CC(C)CC(C(=O)O)C2)CC1.
What is the InChIKey of 5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is FXIDRJWFEFKSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-3-5-13(6-4-11)9-16-8-12(2)7-14(10-16)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid?
5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122125296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).