1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine

C15H17ClN2S — CID 173148165

IUPAC1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine
SMILESCN1CCN(c2cc(Cl)ccc2-c2cccs2)CC1
InChIInChI=1S/C15H17ClN2S/c1-17-6-8-18(9-7-17)14-11-12(16)4-5-13(14)15-3-2-10-19-15/h2-5,10-11H,6-9H2,1H3
InChIKeyPNBALNFTDYPQPS-UHFFFAOYSA-N
MW292.83 g/mol
LogP3.82
Rot. Bonds2

About 1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine

1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine (PubChem CID 173148165) has the molecular formula C15H17ClN2S and a molecular weight of 292.83 g/mol. Its IUPAC name is 1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine
PubChem CID173148165
Molecular FormulaC15H17ClN2S
Molecular Weight292.83 g/mol
Exact Mass292.08
IUPAC Name1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine
SMILESCN1CCN(c2cc(Cl)ccc2-c2cccs2)CC1
InChIInChI=1S/C15H17ClN2S/c1-17-6-8-18(9-7-17)14-11-12(16)4-5-13(14)15-3-2-10-19-15/h2-5,10-11H,6-9H2,1H3
InChIKeyPNBALNFTDYPQPS-UHFFFAOYSA-N
XLogP3.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine
CID 173148061
4-chloro-2-(4-methyl-1,4-diazepan-1-yl)aniline
CID 115468464
6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline
CID 10764062
CID 163579516
CID 163579516
5-chloro-2-(4-methylpiperazin-1-yl)benzoic acid
CID 12784710
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18198223
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine
CID 83010258
4-chloro-2-(4-methyl-1,4-diazepan-1-yl)benzenecarbothioamide
CID 55179835
2-[5-chloro-2-[(4-chloro-2-thiophen-2-ylphenyl)disulfanyl]phenyl]thiophene
CID 151082316
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35357579
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 71824781
1-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555456

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine?
The IUPAC name of 1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine (CID 173148165) is 1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine is CN1CCN(c2cc(Cl)ccc2-c2cccs2)CC1.
What is the InChIKey of 1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine?
The InChIKey is PNBALNFTDYPQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-17-6-8-18(9-7-17)14-11-12(16)4-5-13(14)15-3-2-10-19-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine?
1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine has a molecular weight of 292.83 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine is sourced from PubChem (CID 173148165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).