4-(4-tert-butylcyclohexyl)-3-methylpiperidine

C16H31N — CID 104576146

IUPAC4-(4-tert-butylcyclohexyl)-3-methylpiperidine
SMILESCC1CNCCC1C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H31N/c1-12-11-17-10-9-15(12)13-5-7-14(8-6-13)16(2,3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyOBPXFIJJDPJYAS-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.08
Rot. Bonds1

About 4-(4-tert-butylcyclohexyl)-3-methylpiperidine

4-(4-tert-butylcyclohexyl)-3-methylpiperidine (PubChem CID 104576146) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexyl)-3-methylpiperidine.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexyl)-3-methylpiperidine
PubChem CID104576146
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name4-(4-tert-butylcyclohexyl)-3-methylpiperidine
SMILESCC1CNCCC1C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H31N/c1-12-11-17-10-9-15(12)13-5-7-14(8-6-13)16(2,3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyOBPXFIJJDPJYAS-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-tert-butylcyclohexyl)-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-(4-tert-butylcyclohexyl)-3-methylpiperidine?
The IUPAC name of 4-(4-tert-butylcyclohexyl)-3-methylpiperidine (CID 104576146) is 4-(4-tert-butylcyclohexyl)-3-methylpiperidine.
What is the SMILES notation for 4-(4-tert-butylcyclohexyl)-3-methylpiperidine?
The canonical SMILES for 4-(4-tert-butylcyclohexyl)-3-methylpiperidine is CC1CNCCC1C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-(4-tert-butylcyclohexyl)-3-methylpiperidine?
The InChIKey is OBPXFIJJDPJYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12-11-17-10-9-15(12)13-5-7-14(8-6-13)16(2,3)4/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 4-(4-tert-butylcyclohexyl)-3-methylpiperidine?
4-(4-tert-butylcyclohexyl)-3-methylpiperidine has a molecular weight of 237.43 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexyl)-3-methylpiperidine is sourced from PubChem (CID 104576146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).