1-[1-(5-chlorothiophen-2-yl)propyl]piperazine

C11H17ClN2S — CID 82294535

IUPAC1-[1-(5-chlorothiophen-2-yl)propyl]piperazine
SMILESCCC(c1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C11H17ClN2S/c1-2-9(10-3-4-11(12)15-10)14-7-5-13-6-8-14/h3-4,9,13H,2,5-8H2,1H3
InChIKeyBEUBJYZKOXMYFY-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.76
Rot. Bonds3

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

1-[1-(5-chlorothiophen-2-yl)propyl]piperazine (PubChem CID 82294535) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)propyl]piperazine
PubChem CID82294535
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name1-[1-(5-chlorothiophen-2-yl)propyl]piperazine
SMILESCCC(c1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C11H17ClN2S/c1-2-9(10-3-4-11(12)15-10)14-7-5-13-6-8-14/h3-4,9,13H,2,5-8H2,1H3
InChIKeyBEUBJYZKOXMYFY-UHFFFAOYSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine
CID 131442620
1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine
CID 171307470
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-[(1R)-1-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303413
1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
CID 61057830
1-[(5-chlorothiophen-2-yl)-(4-ethylphenyl)methyl]piperazine
CID 4015812
5-(5-chlorothiophen-2-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63343104
1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
CID 92754745
1-[(1R)-1-(2-chlorophenyl)propyl]piperazine
CID 92754288
1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine
CID 95490471
1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine
CID 171178470

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)propyl]piperazine?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)propyl]piperazine (CID 82294535) is 1-[1-(5-chlorothiophen-2-yl)propyl]piperazine.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)propyl]piperazine?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)propyl]piperazine is CCC(c1ccc(Cl)s1)N1CCNCC1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)propyl]piperazine?
The InChIKey is BEUBJYZKOXMYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-2-9(10-3-4-11(12)15-10)14-7-5-13-6-8-14/h3-4,9,13H,2,5-8H2,1H3.
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)propyl]piperazine?
1-[1-(5-chlorothiophen-2-yl)propyl]piperazine has a molecular weight of 244.79 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)propyl]piperazine is sourced from PubChem (CID 82294535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).