2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol

C12H19ClN2OS — CID 117240439

IUPAC2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol
SMILESCN1CCN(CC(CO)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H19ClN2OS/c1-14-4-6-15(7-5-14)8-10(9-16)11-2-3-12(13)17-11/h2-3,10,16H,4-9H2,1H3
InChIKeySQHAVHRYRTYUJG-UHFFFAOYSA-N
MW274.82 g/mol
LogP1.72
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol

2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol (PubChem CID 117240439) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol
PubChem CID117240439
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol
SMILESCN1CCN(CC(CO)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H19ClN2OS/c1-14-4-6-15(7-5-14)8-10(9-16)11-2-3-12(13)17-11/h2-3,10,16H,4-9H2,1H3
InChIKeySQHAVHRYRTYUJG-UHFFFAOYSA-N
XLogP1.72
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 117240368
2-(5-chlorothiophen-2-yl)-3-(cyclopropylamino)propan-1-ol
CID 117240288
4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol
CID 117240691
3-piperidin-1-yl-2-thiophen-2-ylpropan-1-ol
CID 117240379
1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82308543
(1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70230035
2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 82026679
1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 82294536
2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol
CID 117240491
1-(5-chlorothiophen-2-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 43228349
2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol
CID 82076672
2-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol
CID 117240543

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol (CID 117240439) is 2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol is CN1CCN(CC(CO)c2ccc(Cl)s2)CC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol?
The InChIKey is SQHAVHRYRTYUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-14-4-6-15(7-5-14)8-10(9-16)11-2-3-12(13)17-11/h2-3,10,16H,4-9H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol?
2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol has a molecular weight of 274.82 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 117240439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).