3-[4-(2-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-ol

C17H21ClN2OS — CID 10664657

IUPAC3-[4-(2-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-ol
SMILESOC(CCN1CCN(c2ccccc2Cl)CC1)c1ccsc1
InChIInChI=1S/C17H21ClN2OS/c18-15-3-1-2-4-16(15)20-10-8-19(9-11-20)7-5-17(21)14-6-12-22-13-14/h1-4,6,12-13,17,21H,5,7-11H2
InChIKeyPXJRWPJLTNUQTJ-UHFFFAOYSA-N
MW336.89 g/mol
LogP3.65
Rot. Bonds5

About 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-ol

3-[4-(2-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-ol (PubChem CID 10664657) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-ol
PubChem CID10664657
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC Name3-[4-(2-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-ol
SMILESOC(CCN1CCN(c2ccccc2Cl)CC1)c1ccsc1
InChIInChI=1S/C17H21ClN2OS/c18-15-3-1-2-4-16(15)20-10-8-19(9-11-20)7-5-17(21)14-6-12-22-13-14/h1-4,6,12-13,17,21H,5,7-11H2
InChIKeyPXJRWPJLTNUQTJ-UHFFFAOYSA-N
XLogP3.65
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-ol?
The IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-ol (CID 10664657) is 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-ol is OC(CCN1CCN(c2ccccc2Cl)CC1)c1ccsc1.
What is the InChIKey of 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-ol?
The InChIKey is PXJRWPJLTNUQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2OS/c18-15-3-1-2-4-16(15)20-10-8-19(9-11-20)7-5-17(21)14-6-12-22-13-14/h1-4,6,12-13,17,21H,5,7-11H2.
What are the key properties of 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-ol?
3-[4-(2-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-ol has a molecular weight of 336.89 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 10664657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).