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

C15H25ClN2S — CID 64847871

IUPAC5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine
SMILESCCC(C)C1CN(Cc2ccc(Cl)s2)C(C)(C)CN1
InChIInChI=1S/C15H25ClN2S/c1-5-11(2)13-9-18(15(3,4)10-17-13)8-12-6-7-14(16)19-12/h6-7,11,13,17H,5,8-10H2,1-4H3
InChIKeyHJCJLZIPXSYJMI-UHFFFAOYSA-N
MW300.90 g/mol
LogP4.00
Rot. Bonds4

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

5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine (PubChem CID 64847871) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine
PubChem CID64847871
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC Name5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine
SMILESCCC(C)C1CN(Cc2ccc(Cl)s2)C(C)(C)CN1
InChIInChI=1S/C15H25ClN2S/c1-5-11(2)13-9-18(15(3,4)10-17-13)8-12-6-7-14(16)19-12/h6-7,11,13,17H,5,8-10H2,1-4H3
InChIKeyHJCJLZIPXSYJMI-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841778
5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64848063
1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64861491
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine
CID 64850155
5-butan-2-yl-1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64847095
5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64848062
5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine
CID 64849409
5-butan-2-yl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64847869
2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64838162
1-[(2-bromo-4-fluorophenyl)methyl]-5-butan-2-yl-2,2-dimethylpiperazine
CID 64847870
(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 129371290
5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
CID 64849218

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine?
The IUPAC name of 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine (CID 64847871) is 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine is CCC(C)C1CN(Cc2ccc(Cl)s2)C(C)(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine?
The InChIKey is HJCJLZIPXSYJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-5-11(2)13-9-18(15(3,4)10-17-13)8-12-6-7-14(16)19-12/h6-7,11,13,17H,5,8-10H2,1-4H3.
What are the key properties of 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine?
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine has a molecular weight of 300.90 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 64847871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).