1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine

C17H22N2S — CID 171277620

IUPAC1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine
SMILESC=CCC[C@@H](c1csc2ccccc12)N1CCNCC1
InChIInChI=1S/C17H22N2S/c1-2-3-7-16(19-11-9-18-10-12-19)15-13-20-17-8-5-4-6-14(15)17/h2,4-6,8,13,16,18H,1,3,7,9-12H2/t16-/m0/s1
InChIKeyZXYHNWCCTBWQIL-INIZCTEOSA-N
MW286.44 g/mol
LogP3.81
Rot. Bonds5

About 1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine

1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine (PubChem CID 171277620) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine
PubChem CID171277620
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine
SMILESC=CCC[C@@H](c1csc2ccccc12)N1CCNCC1
InChIInChI=1S/C17H22N2S/c1-2-3-7-16(19-11-9-18-10-12-19)15-13-20-17-8-5-4-6-14(15)17/h2,4-6,8,13,16,18H,1,3,7,9-12H2/t16-/m0/s1
InChIKeyZXYHNWCCTBWQIL-INIZCTEOSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine
CID 171290219
1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171290220
(3R)-3-(1-benzothiophen-3-yl)-3-piperazin-1-ylpropanenitrile
CID 171306801
1-[(1S)-1-(1-benzothiophen-3-yl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171277623
2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171274672
1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride
CID 171284729
2-[(1R)-1-piperazin-1-ylpent-4-enyl]benzonitrile
CID 171288074
1-[(1S)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride
CID 171272101
1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171289612
1-[(1S)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171276987
(1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride
CID 171224605
1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine
CID 171290243

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine?
The IUPAC name of 1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine (CID 171277620) is 1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine is C=CCC[C@@H](c1csc2ccccc12)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine?
The InChIKey is ZXYHNWCCTBWQIL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-3-7-16(19-11-9-18-10-12-19)15-13-20-17-8-5-4-6-14(15)17/h2,4-6,8,13,16,18H,1,3,7,9-12H2/t16-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine?
1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine has a molecular weight of 286.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine is sourced from PubChem (CID 171277620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).