1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride

C19H31Cl2FN2O2 — CID 44782587

IUPAC1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
SMILESCl.Cl.OC(COC1CCCCC1)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN2O2.2ClH/c20-16-6-8-17(9-7-16)22-12-10-21(11-13-22)14-18(23)15-24-19-4-2-1-3-5-19;;/h6-9,18-19,23H,1-5,10-15H2;2*1H
InChIKeyKYMANQVBBRLNDS-UHFFFAOYSA-N
MW409.37 g/mol
LogP3.50
Rot. Bonds6

About 1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride

1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride (PubChem CID 44782587) has the molecular formula C19H31Cl2FN2O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
PubChem CID44782587
Molecular FormulaC19H31Cl2FN2O2
Molecular Weight409.37 g/mol
Exact Mass408.17
IUPAC Name1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
SMILESCl.Cl.OC(COC1CCCCC1)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN2O2.2ClH/c20-16-6-8-17(9-7-16)22-12-10-21(11-13-22)14-18(23)15-24-19-4-2-1-3-5-19;;/h6-9,18-19,23H,1-5,10-15H2;2*1H
InChIKeyKYMANQVBBRLNDS-UHFFFAOYSA-N
XLogP3.50
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride 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

(2S)-1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 42588067
(2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 696962
(2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 1120303
1-cyclohexyloxy-3-[(1R,5S)-3-(4-fluorophenyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-ol
CID 138696265
(2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 7109324
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol
CID 1201810
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol
CID 7493494
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 29132325
(2S)-1-cyclopentyloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 42588080
1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 3667051
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 31263826
(2R)-1-cyclohexyloxy-3-piperazin-1-ylpropan-2-ol
CID 1132916

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride?
The IUPAC name of 1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride (CID 44782587) is 1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride?
The canonical SMILES for 1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride is Cl.Cl.OC(COC1CCCCC1)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride?
The InChIKey is KYMANQVBBRLNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2.2ClH/c20-16-6-8-17(9-7-16)22-12-10-21(11-13-22)14-18(23)15-24-19-4-2-1-3-5-19;;/h6-9,18-19,23H,1-5,10-15H2;2*1H.
What are the key properties of 1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride?
1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride has a molecular weight of 409.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride is sourced from PubChem (CID 44782587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).