1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine

C14H30N2 — CID 64838733

IUPAC1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine
SMILESCCCCN1CC(C)(C)NCC1CC(C)C
InChIInChI=1S/C14H30N2/c1-6-7-8-16-11-14(4,5)15-10-13(16)9-12(2)3/h12-13,15H,6-11H2,1-5H3
InChIKeyIRCHOANATDKXDK-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds5

About 1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine

1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine (PubChem CID 64838733) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine
PubChem CID64838733
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine
SMILESCCCCN1CC(C)(C)NCC1CC(C)C
InChIInChI=1S/C14H30N2/c1-6-7-8-16-11-14(4,5)15-10-13(16)9-12(2)3/h12-13,15H,6-11H2,1-5H3
InChIKeyIRCHOANATDKXDK-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine (CID 64838733) is 1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine is CCCCN1CC(C)(C)NCC1CC(C)C.
What is the InChIKey of 1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine?
The InChIKey is IRCHOANATDKXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-7-8-16-11-14(4,5)15-10-13(16)9-12(2)3/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine?
1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 64838733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).