(2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol

C19H22Cl2N2OS — CID 1478990

IUPAC(2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESO[C@@H](CSc1ccc(Cl)c(Cl)c1)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22Cl2N2OS/c20-18-7-6-17(12-19(18)21)25-14-16(24)13-22-8-10-23(11-9-22)15-4-2-1-3-5-15/h1-7,12,16,24H,8-11,13-14H2/t16-/m1/s1
InChIKeyBHTNAJHZNPSVAI-MRXNPFEDSA-N
MW397.37 g/mol
LogP4.27
Rot. Bonds6

About (2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol

(2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 1478990) has the molecular formula C19H22Cl2N2OS and a molecular weight of 397.37 g/mol. Its IUPAC name is (2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID1478990
Molecular FormulaC19H22Cl2N2OS
Molecular Weight397.37 g/mol
Exact Mass396.08
IUPAC Name(2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESO[C@@H](CSc1ccc(Cl)c(Cl)c1)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22Cl2N2OS/c20-18-7-6-17(12-19(18)21)25-14-16(24)13-22-8-10-23(11-9-22)15-4-2-1-3-5-15/h1-7,12,16,24H,8-11,13-14H2/t16-/m1/s1
InChIKeyBHTNAJHZNPSVAI-MRXNPFEDSA-N
XLogP4.27
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 54.27
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-(4-phenylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-ol
CID 1476097
(2S)-1-(2-chlorophenyl)sulfanyl-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476156
(2R)-1-(3-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476137
(2R)-1-(3-chlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol
CID 6986660
1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-3-naphthalen-2-ylsulfanylpropan-2-ol
CID 67718397
(2S)-1-(4-fluorophenyl)sulfanyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 1476177
1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 4024808
4-(3,4-dichlorophenyl)sulfanyl-3-hydroxybutanoic acid
CID 82776686
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
CID 92856436
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 16645513
3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 133241517

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 1478990) is (2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol is O[C@@H](CSc1ccc(Cl)c(Cl)c1)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of (2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is BHTNAJHZNPSVAI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22Cl2N2OS/c20-18-7-6-17(12-19(18)21)25-14-16(24)13-22-8-10-23(11-9-22)15-4-2-1-3-5-15/h1-7,12,16,24H,8-11,13-14H2/t16-/m1/s1.
What are the key properties of (2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol?
(2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 397.37 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 1478990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).