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

C15H27NO2 — CID 122084180

IUPAC6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
SMILESCC1CCC(CN2CC(C(=O)O)CCC2C)CC1
InChIInChI=1S/C15H27NO2/c1-11-3-6-13(7-4-11)9-16-10-14(15(17)18)8-5-12(16)2/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyRLDHSWXHEILHOC-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.00
Rot. Bonds3

About 6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid

6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid (PubChem CID 122084180) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
PubChem CID122084180
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
SMILESCC1CCC(CN2CC(C(=O)O)CCC2C)CC1
InChIInChI=1S/C15H27NO2/c1-11-3-6-13(7-4-11)9-16-10-14(15(17)18)8-5-12(16)2/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyRLDHSWXHEILHOC-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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid (CID 122084180) is 6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid is CC1CCC(CN2CC(C(=O)O)CCC2C)CC1.
What is the InChIKey of 6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is RLDHSWXHEILHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-3-6-13(7-4-11)9-16-10-14(15(17)18)8-5-12(16)2/h11-14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 6-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid?
6-methyl-1-[(4-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-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122084180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).