1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine

C15H17ClN2S — CID 150322937

IUPAC1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine
SMILESCc1sccc1N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H17ClN2S/c1-12-15(6-11-19-12)18-9-7-17(8-10-18)14-4-2-13(16)3-5-14/h2-6,11H,7-10H2,1H3
InChIKeyGOAFPPURXOCQFS-UHFFFAOYSA-N
MW292.84 g/mol
LogP4.04
Rot. Bonds2

About 1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine

1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine (PubChem CID 150322937) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine
PubChem CID150322937
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine
SMILESCc1sccc1N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H17ClN2S/c1-12-15(6-11-19-12)18-9-7-17(8-10-18)14-4-2-13(16)3-5-14/h2-6,11H,7-10H2,1H3
InChIKeyGOAFPPURXOCQFS-UHFFFAOYSA-N
XLogP4.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 10917762
CID 10917762
3-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylaniline
CID 62589406
4-(2-methylthiophen-3-yl)-N-propylpiperazin-1-amine
CID 67704352
[4-(4-chlorophenyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone
CID 1247359
1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine
CID 63464192
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylaniline
CID 43436332
1-(4-chlorophenyl)-4-(4-methylcyclohexyl)piperazine
CID 23856792
4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine
CID 11267189
1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine
CID 152771280
(3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 60790381
5-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]benzoic acid
CID 12784714
5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 3021501

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine (CID 150322937) is 1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine is Cc1sccc1N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine?
The InChIKey is GOAFPPURXOCQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-12-15(6-11-19-12)18-9-7-17(8-10-18)14-4-2-13(16)3-5-14/h2-6,11H,7-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine?
1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine has a molecular weight of 292.84 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine is sourced from PubChem (CID 150322937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).