1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine

C13H21ClN2S — CID 171307470

IUPAC1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine
SMILESCCCC[C@H](c1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C13H21ClN2S/c1-2-3-4-11(12-5-6-13(14)17-12)16-9-7-15-8-10-16/h5-6,11,15H,2-4,7-10H2,1H3/t11-/m1/s1
InChIKeyPELKZPYSJANSAA-LLVKDONJSA-N
MW272.84 g/mol
LogP3.54
Rot. Bonds5

About 1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine

1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine (PubChem CID 171307470) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine
PubChem CID171307470
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine
SMILESCCCC[C@H](c1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C13H21ClN2S/c1-2-3-4-11(12-5-6-13(14)17-12)16-9-7-15-8-10-16/h5-6,11,15H,2-4,7-10H2,1H3/t11-/m1/s1
InChIKeyPELKZPYSJANSAA-LLVKDONJSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-chlorothiophen-2-yl)propyl]piperazine
CID 82294535
1-[(1S)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine
CID 131442620
1-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303413
1-[(1S)-1-thiophen-2-ylpentyl]piperazine
CID 171309479
1-[(1R)-1-thiophen-2-ylpentyl]piperazine;dihydrochloride
CID 171308182
1-[(1S)-1-(5-chlorothiophen-2-yl)-3-methylbut-3-enyl]piperazine
CID 171274388
(3S)-3-(5-chlorothiophen-2-yl)-3-piperazin-1-ylpropanenitrile
CID 131464703
1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
CID 61057830
1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine
CID 171308919
1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)hexyl]piperazine
CID 171308979
1-[(1S)-1-(2-chloro-3,6-difluorophenyl)pentyl]piperazine
CID 171166244
1-[1-(2,4-dichlorophenyl)pentyl]piperazine
CID 5226884

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine (CID 171307470) is 1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine is CCCC[C@H](c1ccc(Cl)s1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine?
The InChIKey is PELKZPYSJANSAA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-2-3-4-11(12-5-6-13(14)17-12)16-9-7-15-8-10-16/h5-6,11,15H,2-4,7-10H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine?
1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine has a molecular weight of 272.84 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine is sourced from PubChem (CID 171307470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).