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

C10H15ClN2S — CID 61057830

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
SMILESCC(c1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C10H15ClN2S/c1-8(9-2-3-10(11)14-9)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3
InChIKeyXDFSCLUXZLJSKJ-UHFFFAOYSA-N
MW230.76 g/mol
LogP2.37
Rot. Bonds2

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

1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine (PubChem CID 61057830) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
PubChem CID61057830
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
SMILESCC(c1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C10H15ClN2S/c1-8(9-2-3-10(11)14-9)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3
InChIKeyXDFSCLUXZLJSKJ-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 52.37
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-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171276089
1-[(1S)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine
CID 131442620
1-[(5-chlorothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 3732982
1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
CID 92754745
1-[(1R)-1-(5-chlorothiophen-2-yl)pentyl]piperazine
CID 171307470
1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine
CID 63862940
1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine
CID 171178470
1-[(1S)-1-(5-chlorothiophen-2-yl)-3-methylbut-3-enyl]piperazine
CID 171274388
1-[(5-chlorothiophen-2-yl)-(4-ethylphenyl)methyl]piperazine
CID 4015812
(3S)-3-(5-chlorothiophen-2-yl)-3-piperazin-1-ylpropanenitrile
CID 131464703
4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole
CID 63342467

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine (CID 61057830) is 1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine is CC(c1ccc(Cl)s1)N1CCNCC1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine?
The InChIKey is XDFSCLUXZLJSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-8(9-2-3-10(11)14-9)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3.
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine?
1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine has a molecular weight of 230.76 g/mol, XLogP of 2.37, 2 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)ethyl]piperazine is sourced from PubChem (CID 61057830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).