1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine

C12H19ClN2S — CID 63862940

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine
SMILESCC1CN(C(C)c2ccc(Cl)s2)CC(C)N1
InChIInChI=1S/C12H19ClN2S/c1-8-6-15(7-9(2)14-8)10(3)11-4-5-12(13)16-11/h4-5,8-10,14H,6-7H2,1-3H3
InChIKeyDZNAZNGWGVBDRG-UHFFFAOYSA-N
MW258.82 g/mol
LogP3.14
Rot. Bonds2

About 1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine

1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine (PubChem CID 63862940) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine
PubChem CID63862940
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine
SMILESCC1CN(C(C)c2ccc(Cl)s2)CC(C)N1
InChIInChI=1S/C12H19ClN2S/c1-8-6-15(7-9(2)14-8)10(3)11-4-5-12(13)16-11/h4-5,8-10,14H,6-7H2,1-3H3
InChIKeyDZNAZNGWGVBDRG-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine
CID 63863302
1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
CID 61057830
1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine
CID 61297752
3-butan-2-yl-1-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazepane
CID 64943819
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513257
1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine
CID 54954672
1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine
CID 63861880
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240776
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64964973
1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64947386
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064411
1-(5-chlorothiophen-2-yl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine
CID 103531123

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine (CID 63862940) is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine is CC1CN(C(C)c2ccc(Cl)s2)CC(C)N1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine?
The InChIKey is DZNAZNGWGVBDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-8-6-15(7-9(2)14-8)10(3)11-4-5-12(13)16-11/h4-5,8-10,14H,6-7H2,1-3H3.
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine?
1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine has a molecular weight of 258.82 g/mol, XLogP of 3.14, 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]-3,5-dimethylpiperazine is sourced from PubChem (CID 63862940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).