(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol

C19H23ClN2OS — CID 92856413

IUPAC(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
SMILESO[C@H](CSc1ccccc1)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2OS/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/h1-9,18,23H,10-15H2/t18-/m0/s1
InChIKeyZQCBFAAEASIQQB-SFHVURJKSA-N
MW362.93 g/mol
LogP3.62
Rot. Bonds6

About (2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol

(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol (PubChem CID 92856413) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is (2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
PubChem CID92856413
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC Name(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
SMILESO[C@H](CSc1ccccc1)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2OS/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/h1-9,18,23H,10-15H2/t18-/m0/s1
InChIKeyZQCBFAAEASIQQB-SFHVURJKSA-N
XLogP3.62
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 1478990
(2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476156
(2R)-1-(4-phenylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-ol
CID 1476097
(2R)-1-(3-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476137
(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 1109966
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
CID 92856436
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-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 3072724
(2R)-1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
CID 3072712
4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110884687

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol?
The IUPAC name of (2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol (CID 92856413) is (2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for (2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol is O[C@H](CSc1ccccc1)CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol?
The InChIKey is ZQCBFAAEASIQQB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23ClN2OS/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/h1-9,18,23H,10-15H2/t18-/m0/s1.
What are the key properties of (2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol?
(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol has a molecular weight of 362.93 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 92856413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).