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

C15H25ClN2S — CID 64838162

IUPAC2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine
SMILESCCC(C)C1CNC(C)(C)CN1Cc1ccc(Cl)s1
InChIInChI=1S/C15H25ClN2S/c1-5-11(2)13-8-17-15(3,4)10-18(13)9-12-6-7-14(16)19-12/h6-7,11,13,17H,5,8-10H2,1-4H3
InChIKeyCPZWCNLRAOSSSS-UHFFFAOYSA-N
MW300.90 g/mol
LogP4.00
Rot. Bonds4

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

2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine (PubChem CID 64838162) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is 2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine
PubChem CID64838162
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC Name2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine
SMILESCCC(C)C1CNC(C)(C)CN1Cc1ccc(Cl)s1
InChIInChI=1S/C15H25ClN2S/c1-5-11(2)13-8-17-15(3,4)10-18(13)9-12-6-7-14(16)19-12/h6-7,11,13,17H,5,8-10H2,1-4H3
InChIKeyCPZWCNLRAOSSSS-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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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine?
The IUPAC name of 2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine (CID 64838162) is 2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine is CCC(C)C1CNC(C)(C)CN1Cc1ccc(Cl)s1.
What is the InChIKey of 2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine?
The InChIKey is CPZWCNLRAOSSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-5-11(2)13-8-17-15(3,4)10-18(13)9-12-6-7-14(16)19-12/h6-7,11,13,17H,5,8-10H2,1-4H3.
What are the key properties of 2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine?
2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-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 2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine is sourced from PubChem (CID 64838162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).