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

C13H21ClN2S — CID 64841778

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine
SMILESCCC1CN(Cc2ccc(Cl)s2)C(C)(C)CN1
InChIInChI=1S/C13H21ClN2S/c1-4-10-7-16(13(2,3)9-15-10)8-11-5-6-12(14)17-11/h5-6,10,15H,4,7-9H2,1-3H3
InChIKeyFZRYKXAVERBQEM-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.36
Rot. Bonds3

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

1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine (PubChem CID 64841778) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine
PubChem CID64841778
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine
SMILESCCC1CN(Cc2ccc(Cl)s2)C(C)(C)CN1
InChIInChI=1S/C13H21ClN2S/c1-4-10-7-16(13(2,3)9-15-10)8-11-5-6-12(14)17-11/h5-6,10,15H,4,7-9H2,1-3H3
InChIKeyFZRYKXAVERBQEM-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64861491
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine
CID 64847871
2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine
CID 64842563
5-[(5-ethyl-2,2-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644884
1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine
CID 64847233
1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 102862525
6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848575
5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine
CID 64843913
1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
CID 64859591
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79908301
1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine
CID 64844415
1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841386

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine (CID 64841778) is 1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine is CCC1CN(Cc2ccc(Cl)s2)C(C)(C)CN1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine?
The InChIKey is FZRYKXAVERBQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-4-10-7-16(13(2,3)9-15-10)8-11-5-6-12(14)17-11/h5-6,10,15H,4,7-9H2,1-3H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine?
1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine has a molecular weight of 272.84 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine is sourced from PubChem (CID 64841778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).