1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride

C20H40ClNO2 — CID 2882278

IUPAC1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CCCC(C)N1CC(O)COC1CCC(C(C)(C)C)CC1.Cl
InChIInChI=1S/C20H39NO2.ClH/c1-15-7-6-8-16(2)21(15)13-18(22)14-23-19-11-9-17(10-12-19)20(3,4)5;/h15-19,22H,6-14H2,1-5H3;1H
InChIKeyRGMYTKNHCHPGQI-UHFFFAOYSA-N
MW362.00 g/mol
LogP4.65
Rot. Bonds5

About 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride

1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride (PubChem CID 2882278) has the molecular formula C20H40ClNO2 and a molecular weight of 362.00 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride
PubChem CID2882278
Molecular FormulaC20H40ClNO2
Molecular Weight362.00 g/mol
Exact Mass361.27
IUPAC Name1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CCCC(C)N1CC(O)COC1CCC(C(C)(C)C)CC1.Cl
InChIInChI=1S/C20H39NO2.ClH/c1-15-7-6-8-16(2)21(15)13-18(22)14-23-19-11-9-17(10-12-19)20(3,4)5;/h15-19,22H,6-14H2,1-5H3;1H
InChIKeyRGMYTKNHCHPGQI-UHFFFAOYSA-N
XLogP4.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.00
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride 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

1-((2-Isopropyl-5-methylcyclohexyl)oxy)-3-(3-methylpiperidin-1-yl)propan-2-ol hydrochloride
CID 2867132
CID 16196094
CID 16196094
1-(2-Methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride
CID 16241438
1-(3,5-Dimethylpiperidin-1-yl)-3-[(3,3,5-trimethylcyclohexyl)oxy]propan-2-ol
CID 23723107
1-((2-Isopropyl-5-methylcyclohexyl)oxy)-3-(4-methylpiperidin-1-yl)propan-2-ol hydrochloride
CID 2769749
1-(4-Tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 2882591
1-[(4-Tert-butylcyclohexyl)oxy]-3-(1-pyrrolidinyl)-2-propanol hydrochloride
CID 2882788
1-(4-Morpholinyl)-3-[(3,3,5-trimethylcyclohexyl)oxy]-2-propanol hydrochloride
CID 2892832
1-[2-(1-Adamantyl)ethoxy]-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 16195939
1-(4-Methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride
CID 2892386
1-[(4-Tert-butylcyclohexyl)oxy]-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 2882279
1-(2,6-Dimethylpiperidin-1-yl)-3-((2-isopropyl-5-methylcyclohexyl)oxy)propan-2-ol
CID 2870295

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride (CID 2882278) is 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride is CC1CCCC(C)N1CC(O)COC1CCC(C(C)(C)C)CC1.Cl.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is RGMYTKNHCHPGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2.ClH/c1-15-7-6-8-16(2)21(15)13-18(22)14-23-19-11-9-17(10-12-19)20(3,4)5;/h15-19,22H,6-14H2,1-5H3;1H.
What are the key properties of 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride?
1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 362.00 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 2882278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).