1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol

C15H20N2OS — CID 158026538

IUPAC1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol
SMILESCCC(O)N1CCN(c2cccc3sccc23)CC1
InChIInChI=1S/C15H20N2OS/c1-2-15(18)17-9-7-16(8-10-17)13-4-3-5-14-12(13)6-11-19-14/h3-6,11,15,18H,2,7-10H2,1H3
InChIKeyFGQZJOGYPNIKNV-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.75
Rot. Bonds3

About 1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol

1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol (PubChem CID 158026538) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol
PubChem CID158026538
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol
SMILESCCC(O)N1CCN(c2cccc3sccc23)CC1
InChIInChI=1S/C15H20N2OS/c1-2-15(18)17-9-7-16(8-10-17)13-4-3-5-14-12(13)6-11-19-14/h3-6,11,15,18H,2,7-10H2,1H3
InChIKeyFGQZJOGYPNIKNV-UHFFFAOYSA-N
XLogP2.75
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine
CID 91076986
3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 167900859
1-(1-benzothiophen-4-yl)piperazine;methane
CID 161016318
N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-N-ethyl-2-sulfanylacetamide
CID 87693852
1-(4-phenylpiperazin-1-yl)propan-1-ol
CID 57202840
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-5-oxohexyl]piperazin-2-one;hydrochloride
CID 69099544
2-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydro-1H-isoquinoline
CID 69468370
5-(1-benzothiophen-4-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155345643
1-(1-benzothiophen-4-yl)piperidine;bis(1-(2-chloro-1-benzothiophen-4-yl)piperidine)
CID 159410941
1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide
CID 90811641
1-(1-benzothiophen-4-yl)-6-methyl-1,4-diazepane
CID 130343643
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-1-hydroxybutoxy]-1H-quinolin-2-one
CID 134391639

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol (CID 158026538) is 1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol is CCC(O)N1CCN(c2cccc3sccc23)CC1.
What is the InChIKey of 1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol?
The InChIKey is FGQZJOGYPNIKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-15(18)17-9-7-16(8-10-17)13-4-3-5-14-12(13)6-11-19-14/h3-6,11,15,18H,2,7-10H2,1H3.
What are the key properties of 1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol?
1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol has a molecular weight of 276.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 158026538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).