1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine

C17H27ClN2S — CID 64847233

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(Cc2ccc(Cl)s2)C(C)(C2CC2)CN1
InChIInChI=1S/C17H27ClN2S/c1-12(2)8-14-9-20(10-15-6-7-16(18)21-15)17(3,11-19-14)13-4-5-13/h6-7,12-14,19H,4-5,8-11H2,1-3H3
InChIKeyGNELMFQKUSTRIW-UHFFFAOYSA-N
MW326.94 g/mol
LogP4.39
Rot. Bonds5

About 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine

1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine (PubChem CID 64847233) has the molecular formula C17H27ClN2S and a molecular weight of 326.94 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine
PubChem CID64847233
Molecular FormulaC17H27ClN2S
Molecular Weight326.94 g/mol
Exact Mass326.16
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(Cc2ccc(Cl)s2)C(C)(C2CC2)CN1
InChIInChI=1S/C17H27ClN2S/c1-12(2)8-14-9-20(10-15-6-7-16(18)21-15)17(3,11-19-14)13-4-5-13/h6-7,12-14,19H,4-5,8-11H2,1-3H3
InChIKeyGNELMFQKUSTRIW-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.94
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
CID 64859591
6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848575
1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841778
1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838073
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-cyclopropyl-1-hexyl-2-methyl-5-(2-methylpropyl)piperazine
CID 64849739
1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine
CID 64842191
2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64844959
2-cyclopropyl-2-methyl-5-(2-methylpropyl)-1-(2-propoxyethyl)piperazine
CID 106458668
1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
CID 64876915
2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64838162

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine (CID 64847233) is 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine is CC(C)CC1CN(Cc2ccc(Cl)s2)C(C)(C2CC2)CN1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine?
The InChIKey is GNELMFQKUSTRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2S/c1-12(2)8-14-9-20(10-15-6-7-16(18)21-15)17(3,11-19-14)13-4-5-13/h6-7,12-14,19H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine?
1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine has a molecular weight of 326.94 g/mol, XLogP of 4.39, 5 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]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64847233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).