4-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine

C20H39NO — CID 130219147

IUPAC4-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine
SMILESCN1CCC(C(C)(C)COC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H39NO/c1-19(2,3)16-7-9-18(10-8-16)22-15-20(4,5)17-11-13-21(6)14-12-17/h16-18H,7-15H2,1-6H3
InChIKeyKQFFSTALKNBPCA-UHFFFAOYSA-N
MW309.54 g/mol
LogP4.98
Rot. Bonds4

About 4-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine

4-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine (PubChem CID 130219147) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 4-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine
PubChem CID130219147
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name4-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine
SMILESCN1CCC(C(C)(C)COC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H39NO/c1-19(2,3)16-7-9-18(10-8-16)22-15-20(4,5)17-11-13-21(6)14-12-17/h16-18H,7-15H2,1-6H3
InChIKeyKQFFSTALKNBPCA-UHFFFAOYSA-N
XLogP4.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-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-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine?
The IUPAC name of 4-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine (CID 130219147) is 4-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine?
The canonical SMILES for 4-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine is CN1CCC(C(C)(C)COC2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine?
The InChIKey is KQFFSTALKNBPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-19(2,3)16-7-9-18(10-8-16)22-15-20(4,5)17-11-13-21(6)14-12-17/h16-18H,7-15H2,1-6H3.
What are the key properties of 4-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine?
4-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine has a molecular weight of 309.54 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine is sourced from PubChem (CID 130219147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).