2-[(2,6-dimethylcyclohexyl)methyl]-1-methylpiperidine

C15H29N — CID 21244025

IUPAC2-[(2,6-dimethylcyclohexyl)methyl]-1-methylpiperidine
SMILESCC1CCCC(C)C1CC1CCCCN1C
InChIInChI=1S/C15H29N/c1-12-7-6-8-13(2)15(12)11-14-9-4-5-10-16(14)3/h12-15H,4-11H2,1-3H3
InChIKeySEWBPLPEGBNGQR-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.93
Rot. Bonds2

About 2-[(2,6-dimethylcyclohexyl)methyl]-1-methylpiperidine

2-[(2,6-dimethylcyclohexyl)methyl]-1-methylpiperidine (PubChem CID 21244025) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2-[(2,6-dimethylcyclohexyl)methyl]-1-methylpiperidine.

Molecular Properties

Compound Name2-[(2,6-dimethylcyclohexyl)methyl]-1-methylpiperidine
PubChem CID21244025
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2-[(2,6-dimethylcyclohexyl)methyl]-1-methylpiperidine
SMILESCC1CCCC(C)C1CC1CCCCN1C
InChIInChI=1S/C15H29N/c1-12-7-6-8-13(2)15(12)11-14-9-4-5-10-16(14)3/h12-15H,4-11H2,1-3H3
InChIKeySEWBPLPEGBNGQR-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylcyclohexyl)methyl]-1-methylpiperidine?
The IUPAC name of 2-[(2,6-dimethylcyclohexyl)methyl]-1-methylpiperidine (CID 21244025) is 2-[(2,6-dimethylcyclohexyl)methyl]-1-methylpiperidine.
What is the SMILES notation for 2-[(2,6-dimethylcyclohexyl)methyl]-1-methylpiperidine?
The canonical SMILES for 2-[(2,6-dimethylcyclohexyl)methyl]-1-methylpiperidine is CC1CCCC(C)C1CC1CCCCN1C.
What is the InChIKey of 2-[(2,6-dimethylcyclohexyl)methyl]-1-methylpiperidine?
The InChIKey is SEWBPLPEGBNGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-12-7-6-8-13(2)15(12)11-14-9-4-5-10-16(14)3/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-[(2,6-dimethylcyclohexyl)methyl]-1-methylpiperidine?
2-[(2,6-dimethylcyclohexyl)methyl]-1-methylpiperidine has a molecular weight of 223.40 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylcyclohexyl)methyl]-1-methylpiperidine is sourced from PubChem (CID 21244025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).