1-(3,3-dimethylbutyl)piperazine

C10H22N2 — CID 23112345

IUPAC1-(3,3-dimethylbutyl)piperazine
SMILESCC(C)(C)CCN1CCNCC1
InChIInChI=1S/C10H22N2/c1-10(2,3)4-7-12-8-5-11-6-9-12/h11H,4-9H2,1-3H3
InChIKeyLFDFICUWQKREJW-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.33
Rot. Bonds2

About 1-(3,3-dimethylbutyl)piperazine

1-(3,3-dimethylbutyl)piperazine (PubChem CID 23112345) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)piperazine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)piperazine
PubChem CID23112345
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-(3,3-dimethylbutyl)piperazine
SMILESCC(C)(C)CCN1CCNCC1
InChIInChI=1S/C10H22N2/c1-10(2,3)4-7-12-8-5-11-6-9-12/h11H,4-9H2,1-3H3
InChIKeyLFDFICUWQKREJW-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)piperazine?
The IUPAC name of 1-(3,3-dimethylbutyl)piperazine (CID 23112345) is 1-(3,3-dimethylbutyl)piperazine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)piperazine?
The canonical SMILES for 1-(3,3-dimethylbutyl)piperazine is CC(C)(C)CCN1CCNCC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)piperazine?
The InChIKey is LFDFICUWQKREJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-10(2,3)4-7-12-8-5-11-6-9-12/h11H,4-9H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)piperazine?
1-(3,3-dimethylbutyl)piperazine has a molecular weight of 170.30 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)piperazine is sourced from PubChem (CID 23112345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).