1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride

C23H38Cl2N2O2 — CID 71778666

IUPAC1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride
SMILESCC(C)(C)C1CCC(OCC(O)CN2CCN(c3cccc(Cl)c3)CC2)CC1.Cl
InChIInChI=1S/C23H37ClN2O2.ClH/c1-23(2,3)18-7-9-22(10-8-18)28-17-21(27)16-25-11-13-26(14-12-25)20-6-4-5-19(24)15-20;/h4-6,15,18,21-22,27H,7-14,16-17H2,1-3H3;1H
InChIKeyUTUJDADZLBISGM-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.87
Rot. Bonds6

About 1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride

1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride (PubChem CID 71778666) has the molecular formula C23H38Cl2N2O2 and a molecular weight of 445.48 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride
PubChem CID71778666
Molecular FormulaC23H38Cl2N2O2
Molecular Weight445.48 g/mol
Exact Mass444.23
IUPAC Name1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride
SMILESCC(C)(C)C1CCC(OCC(O)CN2CCN(c3cccc(Cl)c3)CC2)CC1.Cl
InChIInChI=1S/C23H37ClN2O2.ClH/c1-23(2,3)18-7-9-22(10-8-18)28-17-21(27)16-25-11-13-26(14-12-25)20-6-4-5-19(24)15-20;/h4-6,15,18,21-22,27H,7-14,16-17H2,1-3H3;1H
InChIKeyUTUJDADZLBISGM-UHFFFAOYSA-N
XLogP4.87
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-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-[(4-Tert-butylcyclohexyl)oxy]-3-(4-phenyl-1-piperazinyl)-2-propanol dihydrochloride
CID 9550615
1-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-3-isopropoxy-2-propanol hydrochloride
CID 2938395
1-[4-(4-Fluorophenyl)-1-piperazinyl]-3-[(3,3,5-trimethylcyclohexyl)oxy]-2-propanol
CID 2891703
1-[2-(Adamantan-1-YL)ethoxy]-3-(4-phenylpiperazin-1-YL)propan-2-OL dihydrochloride
CID 2769768
1-(4-(3-chlorophenyl)piperazin-1-yl)-3-(((1S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)propan-2-ol hydrochloride
CID 16832259
1-[(Adamantan-1-yl)methoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride
CID 18593202
1-[(Adamantan-1-yl)methoxy]-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol hydrochloride
CID 18593206
1-(5-Methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 3296218
3-[4-(m-Chlorophenyl)-1-piperazinyl]-1-(1-phenylpropoxy)-2-propanol
CID 4471711
1-[4-(3-Chlorophenyl)piperazinyl]-3-(2-methylcyclopentyloxy)propan-2-ol
CID 16456352
1-(4-(3-Chlorophenyl)piperazin-1-yl)-3-((1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)propan-2-ol hydrochloride
CID 16806990
1-[(Adamantan-1-yl)methoxy]-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propan-2-ol hydrochloride
CID 16832242

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride (CID 71778666) is 1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride is CC(C)(C)C1CCC(OCC(O)CN2CCN(c3cccc(Cl)c3)CC2)CC1.Cl.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride?
The InChIKey is UTUJDADZLBISGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37ClN2O2.ClH/c1-23(2,3)18-7-9-22(10-8-18)28-17-21(27)16-25-11-13-26(14-12-25)20-6-4-5-19(24)15-20;/h4-6,15,18,21-22,27H,7-14,16-17H2,1-3H3;1H.
What are the key properties of 1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride?
1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride has a molecular weight of 445.48 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)oxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 71778666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).