4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine

C20H39NO — CID 160745640

IUPAC4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine
SMILESCC(C)CCC1CCC(OC2CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C20H39NO/c1-16(2)5-6-18-7-9-19(10-8-18)22-20-11-13-21(14-12-20)15-17(3)4/h16-20H,5-15H2,1-4H3
InChIKeyRWDUBBMRFOVRJJ-UHFFFAOYSA-N
MW309.54 g/mol
LogP5.12
Rot. Bonds7

About 4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine

4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine (PubChem CID 160745640) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine
PubChem CID160745640
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine
SMILESCC(C)CCC1CCC(OC2CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C20H39NO/c1-16(2)5-6-18-7-9-19(10-8-18)22-20-11-13-21(14-12-20)15-17(3)4/h16-20H,5-15H2,1-4H3
InChIKeyRWDUBBMRFOVRJJ-UHFFFAOYSA-N
XLogP5.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine with MolForge

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

Launch Full Analysis

Related Compounds

Piperidine, 1-(2-(dicyclohexylmethoxy)ethyl)-, hydrochloride
CID 3025269
1-[[1-Fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine
CID 171598511
2-(2-Fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine
CID 175626690
1-[2-(Dicyclohexylmethoxy)ethyl]piperidine
CID 3025270
1-Butyl-4-cyclohexyl-4-propoxypiperidine
CID 3030417
1-(3-((1-Cyclohexylcyclohexyl)oxy)propyl)piperidine hydrochloride
CID 3030460
4-Methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine
CID 159141753
1-(4-Butoxycyclohexyl)-4-pentylpiperidine
CID 20268568
1-(4-Methoxycyclohexyl)-4-pentylpiperidine
CID 20268595
1-(4-Decoxycyclohexyl)-4-pentylpiperidine
CID 20268628
4-Pentyl-1-(4-propoxycyclohexyl)piperidine
CID 20268642
1-(4-Pentoxycyclohexyl)-4-pentylpiperidine
CID 20268652

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine?
The IUPAC name of 4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine (CID 160745640) is 4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine?
The canonical SMILES for 4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine is CC(C)CCC1CCC(OC2CCN(CC(C)C)CC2)CC1.
What is the InChIKey of 4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine?
The InChIKey is RWDUBBMRFOVRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-16(2)5-6-18-7-9-19(10-8-18)22-20-11-13-21(14-12-20)15-17(3)4/h16-20H,5-15H2,1-4H3.
What are the key properties of 4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine?
4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine has a molecular weight of 309.54 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 160745640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).