1-[(1S)-1-thiophen-2-ylpentyl]piperazine

C13H22N2S — CID 171309479

IUPAC1-[(1S)-1-thiophen-2-ylpentyl]piperazine
SMILESCCCC[C@@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C13H22N2S/c1-2-3-5-12(13-6-4-11-16-13)15-9-7-14-8-10-15/h4,6,11-12,14H,2-3,5,7-10H2,1H3/t12-/m0/s1
InChIKeyRGYFWHBESXJUAA-LBPRGKRZSA-N
MW238.40 g/mol
LogP2.88
Rot. Bonds5

About 1-[(1S)-1-thiophen-2-ylpentyl]piperazine

1-[(1S)-1-thiophen-2-ylpentyl]piperazine (PubChem CID 171309479) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-[(1S)-1-thiophen-2-ylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-thiophen-2-ylpentyl]piperazine
PubChem CID171309479
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-[(1S)-1-thiophen-2-ylpentyl]piperazine
SMILESCCCC[C@@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C13H22N2S/c1-2-3-5-12(13-6-4-11-16-13)15-9-7-14-8-10-15/h4,6,11-12,14H,2-3,5,7-10H2,1H3/t12-/m0/s1
InChIKeyRGYFWHBESXJUAA-LBPRGKRZSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-thiophen-2-ylpentyl]piperazine;dihydrochloride
CID 171308182
1-[(1R)-4-methyl-1-thiophen-2-ylpentyl]piperazine
CID 171311169
1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride
CID 171303977
1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine
CID 171307470
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
1-[(1R)-2-fluoro-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171294136
N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 83979379
1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine
CID 171308857
1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine
CID 171308967
1-[(1R)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine
CID 171294145
1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309043
1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171281527

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-thiophen-2-ylpentyl]piperazine?
The IUPAC name of 1-[(1S)-1-thiophen-2-ylpentyl]piperazine (CID 171309479) is 1-[(1S)-1-thiophen-2-ylpentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-thiophen-2-ylpentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-thiophen-2-ylpentyl]piperazine is CCCC[C@@H](c1cccs1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-thiophen-2-ylpentyl]piperazine?
The InChIKey is RGYFWHBESXJUAA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-3-5-12(13-6-4-11-16-13)15-9-7-14-8-10-15/h4,6,11-12,14H,2-3,5,7-10H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-thiophen-2-ylpentyl]piperazine?
1-[(1S)-1-thiophen-2-ylpentyl]piperazine has a molecular weight of 238.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-thiophen-2-ylpentyl]piperazine is sourced from PubChem (CID 171309479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).