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

C20H24ClFN2O2 — CID 1364925

IUPAC(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@@H](COCc1ccc(Cl)cc1)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24ClFN2O2/c21-17-3-1-16(2-4-17)14-26-15-20(25)13-23-9-11-24(12-10-23)19-7-5-18(22)6-8-19/h1-8,20,25H,9-15H2/t20-/m1/s1
InChIKeyGUYQLGJNJTVZQJ-HXUWFJFHSA-N
MW378.88 g/mol
LogP3.18
Rot. Bonds7

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

(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 1364925) has the molecular formula C20H24ClFN2O2 and a molecular weight of 378.88 g/mol. Its IUPAC name is (2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID1364925
Molecular FormulaC20H24ClFN2O2
Molecular Weight378.88 g/mol
Exact Mass378.15
IUPAC Name(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@@H](COCc1ccc(Cl)cc1)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24ClFN2O2/c21-17-3-1-16(2-4-17)14-26-15-20(25)13-23-9-11-24(12-10-23)19-7-5-18(22)6-8-19/h1-8,20,25H,9-15H2/t20-/m1/s1
InChIKeyGUYQLGJNJTVZQJ-HXUWFJFHSA-N
XLogP3.18
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1227221
1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride
CID 21236715
(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 7329897
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1217435
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 2866603
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 29132325
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol
CID 3681676
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584
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-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 3667051
1-(4-chlorophenoxy)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3859453
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 92752913

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol (CID 1364925) is (2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol is O[C@@H](COCc1ccc(Cl)cc1)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is GUYQLGJNJTVZQJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24ClFN2O2/c21-17-3-1-16(2-4-17)14-26-15-20(25)13-23-9-11-24(12-10-23)19-7-5-18(22)6-8-19/h1-8,20,25H,9-15H2/t20-/m1/s1.
What are the key properties of (2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 378.88 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 1364925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).