1-(4,4-dimethylpentyl)-4-methylpiperazine

C12H26N2 — CID 23381231

IUPAC1-(4,4-dimethylpentyl)-4-methylpiperazine
SMILESCN1CCN(CCCC(C)(C)C)CC1
InChIInChI=1S/C12H26N2/c1-12(2,3)6-5-7-14-10-8-13(4)9-11-14/h5-11H2,1-4H3
InChIKeyHZBWTNTVCQOKEN-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.06
Rot. Bonds3

About 1-(4,4-dimethylpentyl)-4-methylpiperazine

1-(4,4-dimethylpentyl)-4-methylpiperazine (PubChem CID 23381231) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)-4-methylpiperazine
PubChem CID23381231
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(4,4-dimethylpentyl)-4-methylpiperazine
SMILESCN1CCN(CCCC(C)(C)C)CC1
InChIInChI=1S/C12H26N2/c1-12(2,3)6-5-7-14-10-8-13(4)9-11-14/h5-11H2,1-4H3
InChIKeyHZBWTNTVCQOKEN-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentyl)-4-methylpiperazine?
The IUPAC name of 1-(4,4-dimethylpentyl)-4-methylpiperazine (CID 23381231) is 1-(4,4-dimethylpentyl)-4-methylpiperazine.
What is the SMILES notation for 1-(4,4-dimethylpentyl)-4-methylpiperazine?
The canonical SMILES for 1-(4,4-dimethylpentyl)-4-methylpiperazine is CN1CCN(CCCC(C)(C)C)CC1.
What is the InChIKey of 1-(4,4-dimethylpentyl)-4-methylpiperazine?
The InChIKey is HZBWTNTVCQOKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,3)6-5-7-14-10-8-13(4)9-11-14/h5-11H2,1-4H3.
What are the key properties of 1-(4,4-dimethylpentyl)-4-methylpiperazine?
1-(4,4-dimethylpentyl)-4-methylpiperazine has a molecular weight of 198.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)-4-methylpiperazine is sourced from PubChem (CID 23381231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).