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

C19H22ClFN2OS — CID 4562984

IUPAC1-(2-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESOC(CSc1ccccc1Cl)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H22ClFN2OS/c20-16-5-1-4-8-19(16)25-14-15(24)13-22-9-11-23(12-10-22)18-7-3-2-6-17(18)21/h1-8,15,24H,9-14H2
InChIKeyAJYMPTJHOJJOAX-UHFFFAOYSA-N
MW380.92 g/mol
LogP3.75
Rot. Bonds6

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

1-(2-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 4562984) has the molecular formula C19H22ClFN2OS and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID4562984
Molecular FormulaC19H22ClFN2OS
Molecular Weight380.92 g/mol
Exact Mass380.11
IUPAC Name1-(2-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESOC(CSc1ccccc1Cl)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H22ClFN2OS/c20-16-5-1-4-8-19(16)25-14-15(24)13-22-9-11-23(12-10-22)18-7-3-2-6-17(18)21/h1-8,15,24H,9-14H2
InChIKeyAJYMPTJHOJJOAX-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol (CID 4562984) is 1-(2-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol is OC(CSc1ccccc1Cl)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is AJYMPTJHOJJOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2OS/c20-16-5-1-4-8-19(16)25-14-15(24)13-22-9-11-23(12-10-22)18-7-3-2-6-17(18)21/h1-8,15,24H,9-14H2.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol?
1-(2-chlorophenyl)sulfanyl-3-[4-(2-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 1-(2-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 4562984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).