3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine

C15H29N — CID 165449953

IUPAC3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine
SMILESCC1CNCC(C2CC(C)CC(C)(C)C2)C1
InChIInChI=1S/C15H29N/c1-11-5-13(8-15(3,4)7-11)14-6-12(2)9-16-10-14/h11-14,16H,5-10H2,1-4H3
InChIKeyXJSDONVKNMCLOQ-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.69
Rot. Bonds1

About 3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine

3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine (PubChem CID 165449953) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine.

Molecular Properties

Compound Name3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine
PubChem CID165449953
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine
SMILESCC1CNCC(C2CC(C)CC(C)(C)C2)C1
InChIInChI=1S/C15H29N/c1-11-5-13(8-15(3,4)7-11)14-6-12(2)9-16-10-14/h11-14,16H,5-10H2,1-4H3
InChIKeyXJSDONVKNMCLOQ-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine?
The IUPAC name of 3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine (CID 165449953) is 3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine.
What is the SMILES notation for 3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine?
The canonical SMILES for 3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine is CC1CNCC(C2CC(C)CC(C)(C)C2)C1.
What is the InChIKey of 3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine?
The InChIKey is XJSDONVKNMCLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11-5-13(8-15(3,4)7-11)14-6-12(2)9-16-10-14/h11-14,16H,5-10H2,1-4H3.
What are the key properties of 3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine?
3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine has a molecular weight of 223.40 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine is sourced from PubChem (CID 165449953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).