4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine

C14H27NO — CID 64744399

IUPAC4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine
SMILESCC1CCC(OC2CCNCC2C)CC1C
InChIInChI=1S/C14H27NO/c1-10-4-5-13(8-11(10)2)16-14-6-7-15-9-12(14)3/h10-15H,4-9H2,1-3H3
InChIKeyPKVPRAOWSMCPSP-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.83
Rot. Bonds2

About 4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine

4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine (PubChem CID 64744399) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine.

Molecular Properties

Compound Name4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine
PubChem CID64744399
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine
SMILESCC1CCC(OC2CCNCC2C)CC1C
InChIInChI=1S/C14H27NO/c1-10-4-5-13(8-11(10)2)16-14-6-7-15-9-12(14)3/h10-15H,4-9H2,1-3H3
InChIKeyPKVPRAOWSMCPSP-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine?
The IUPAC name of 4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine (CID 64744399) is 4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine.
What is the SMILES notation for 4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine?
The canonical SMILES for 4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine is CC1CCC(OC2CCNCC2C)CC1C.
What is the InChIKey of 4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine?
The InChIKey is PKVPRAOWSMCPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10-4-5-13(8-11(10)2)16-14-6-7-15-9-12(14)3/h10-15H,4-9H2,1-3H3.
What are the key properties of 4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine?
4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine has a molecular weight of 225.38 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylcyclohexyl)oxy-3-methylpiperidine is sourced from PubChem (CID 64744399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).