6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid

C15H27NO2 — CID 122084191

IUPAC6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
SMILESCC1CCCCC1CN1CC(C(=O)O)CCC1C
InChIInChI=1S/C15H27NO2/c1-11-5-3-4-6-13(11)9-16-10-14(15(17)18)8-7-12(16)2/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyAEICJCHSXUOFAB-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.00
Rot. Bonds3

About 6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid

6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid (PubChem CID 122084191) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
PubChem CID122084191
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
SMILESCC1CCCCC1CN1CC(C(=O)O)CCC1C
InChIInChI=1S/C15H27NO2/c1-11-5-3-4-6-13(11)9-16-10-14(15(17)18)8-7-12(16)2/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyAEICJCHSXUOFAB-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122084180
1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid
CID 130901537
(2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122124967
1-(3-cyclohexylpropyl)-6-methylpiperidine-3-carboxylic acid
CID 122084212
1-[(2-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 55013515
3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 107420844
(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 124547889
(6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 145074333
6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide
CID 104870094
2-[(1R,2S)-2-methylcyclohexyl]acetic acid
CID 41097348
1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084082
1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084060

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid (CID 122084191) is 6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid is CC1CCCCC1CN1CC(C(=O)O)CCC1C.
What is the InChIKey of 6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is AEICJCHSXUOFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-5-3-4-6-13(11)9-16-10-14(15(17)18)8-7-12(16)2/h11-14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid?
6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122084191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).