(2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol

C19H22ClFN2OS — CID 1476156

IUPAC(2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@H](CSc1ccccc1Cl)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22ClFN2OS/c20-18-3-1-2-4-19(18)25-14-17(24)13-22-9-11-23(12-10-22)16-7-5-15(21)6-8-16/h1-8,17,24H,9-14H2/t17-/m0/s1
InChIKeyJBGNGFJSYNQYML-KRWDZBQOSA-N
MW380.92 g/mol
LogP3.75
Rot. Bonds6

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

(2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 1476156) has the molecular formula C19H22ClFN2OS and a molecular weight of 380.92 g/mol. Its IUPAC name is (2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID1476156
Molecular FormulaC19H22ClFN2OS
Molecular Weight380.92 g/mol
Exact Mass380.11
IUPAC Name(2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@H](CSc1ccccc1Cl)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22ClFN2OS/c20-18-3-1-2-4-19(18)25-14-17(24)13-22-9-11-23(12-10-22)16-7-5-15(21)6-8-16/h1-8,17,24H,9-14H2/t17-/m0/s1
InChIKeyJBGNGFJSYNQYML-KRWDZBQOSA-N
XLogP3.75
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
CID 92856413
(2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 1478990
1-(2,2-diphenylethyl)-4-(4-fluorophenyl)piperazine
CID 1376189
(2S)-1-(4-chloronaphthalen-1-yl)oxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 8669464
1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 3668416
(2S)-1-(4-fluorophenyl)sulfanyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 1476177
1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride
CID 21236715
1-(4-chloro-3-methylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770432
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol
CID 7025229
(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1364925
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1217435
1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 782911

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol (CID 1476156) is (2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol is O[C@H](CSc1ccccc1Cl)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is JBGNGFJSYNQYML-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22ClFN2OS/c20-18-3-1-2-4-19(18)25-14-17(24)13-22-9-11-23(12-10-22)16-7-5-15(21)6-8-16/h1-8,17,24H,9-14H2/t17-/m0/s1.
What are the key properties of (2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
(2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 380.92 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 1476156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).