(2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol

C25H33FN2O2 — CID 7109324

IUPAC(2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@@H](COc1ccc(C2CCCCC2)cc1)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H33FN2O2/c26-22-8-10-23(11-9-22)28-16-14-27(15-17-28)18-24(29)19-30-25-12-6-21(7-13-25)20-4-2-1-3-5-20/h6-13,20,24,29H,1-5,14-19H2/t24-/m1/s1
InChIKeyQUJTVWWBSIAEKN-XMMPIXPASA-N
MW412.55 g/mol
LogP4.44
Rot. Bonds7

About (2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol

(2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 7109324) has the molecular formula C25H33FN2O2 and a molecular weight of 412.55 g/mol. Its IUPAC name is (2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID7109324
Molecular FormulaC25H33FN2O2
Molecular Weight412.55 g/mol
Exact Mass412.25
IUPAC Name(2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@@H](COc1ccc(C2CCCCC2)cc1)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H33FN2O2/c26-22-8-10-23(11-9-22)28-16-14-27(15-17-28)18-24(29)19-30-25-12-6-21(7-13-25)20-4-2-1-3-5-20/h6-13,20,24,29H,1-5,14-19H2/t24-/m1/s1
InChIKeyQUJTVWWBSIAEKN-XMMPIXPASA-N
XLogP4.44
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-(4-bromophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 34066082
1-(4-cyclohexylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol dichloride
CID 46863733
1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride
CID 21236715
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 66549917
1-(4-cyclohexylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 44787153
1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 44782587
(2S)-1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 42588067
[4-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 2147530
1-[4-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 87013325
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
1-(4-chloro-3-methylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770432
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 2999407

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol (CID 7109324) is (2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol is O[C@@H](COc1ccc(C2CCCCC2)cc1)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is QUJTVWWBSIAEKN-XMMPIXPASA-N. The full InChI is InChI=1S/C25H33FN2O2/c26-22-8-10-23(11-9-22)28-16-14-27(15-17-28)18-24(29)19-30-25-12-6-21(7-13-25)20-4-2-1-3-5-20/h6-13,20,24,29H,1-5,14-19H2/t24-/m1/s1.
What are the key properties of (2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
(2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 412.55 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 7109324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).