[4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol

C22H26N2OS — CID 15289963

IUPAC[4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol
SMILESOCc1cc2c(N3CCN(CCCc4ccccc4)CC3)cccc2s1
InChIInChI=1S/C22H26N2OS/c25-17-19-16-20-21(9-4-10-22(20)26-19)24-14-12-23(13-15-24)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,25H,5,8,11-15,17H2
InChIKeyFIOVHHWJSRXGSE-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.15
Rot. Bonds6

About [4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol

[4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol (PubChem CID 15289963) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is [4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol
PubChem CID15289963
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC Name[4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol
SMILESOCc1cc2c(N3CCN(CCCc4ccccc4)CC3)cccc2s1
InChIInChI=1S/C22H26N2OS/c25-17-19-16-20-21(9-4-10-22(20)26-19)24-14-12-23(13-15-24)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,25H,5,8,11-15,17H2
InChIKeyFIOVHHWJSRXGSE-UHFFFAOYSA-N
XLogP4.15
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol?
The IUPAC name of [4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol (CID 15289963) is [4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol.
What is the SMILES notation for [4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol?
The canonical SMILES for [4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol is OCc1cc2c(N3CCN(CCCc4ccccc4)CC3)cccc2s1.
What is the InChIKey of [4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol?
The InChIKey is FIOVHHWJSRXGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS/c25-17-19-16-20-21(9-4-10-22(20)26-19)24-14-12-23(13-15-24)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,25H,5,8,11-15,17H2.
What are the key properties of [4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol?
[4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol has a molecular weight of 366.53 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol is sourced from PubChem (CID 15289963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).