1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine

C13H21ClN2S — CID 114140136

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1CCc1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2S/c1-10(2)12-9-15-6-8-16(12)7-5-11-3-4-13(14)17-11/h3-4,10,12,15H,5-9H2,1-2H3
InChIKeyBSRHVYRKGBRZDC-UHFFFAOYSA-N
MW272.84 g/mol
LogP2.87
Rot. Bonds4

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

1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine (PubChem CID 114140136) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine
PubChem CID114140136
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1CCc1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2S/c1-10(2)12-9-15-6-8-16(12)7-5-11-3-4-13(14)17-11/h3-4,10,12,15H,5-9H2,1-2H3
InChIKeyBSRHVYRKGBRZDC-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 106043817
1-(3-phenylpropyl)-2-propan-2-ylpiperazine
CID 64832545
1-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpiperazine
CID 106172747
1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine
CID 64838257
(2R)-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 94982854
1-[(4-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64832159
N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378
1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64832939
1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327087
9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64876028
4-(5-chlorothiophen-2-yl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83934884
2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine
CID 64833156

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine (CID 114140136) is 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine is CC(C)C1CNCCN1CCc1ccc(Cl)s1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine?
The InChIKey is BSRHVYRKGBRZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-10(2)12-9-15-6-8-16(12)7-5-11-3-4-13(14)17-11/h3-4,10,12,15H,5-9H2,1-2H3.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine?
1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine has a molecular weight of 272.84 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 114140136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).