2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine

C14H30N2 — CID 64844318

IUPAC2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine
SMILESCCC(C)CN1CC(C)NCC1C(C)CC
InChIInChI=1S/C14H30N2/c1-6-11(3)9-16-10-13(5)15-8-14(16)12(4)7-2/h11-15H,6-10H2,1-5H3
InChIKeyNWHGDHUNSNETOR-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds5

About 2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine

2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine (PubChem CID 64844318) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine
PubChem CID64844318
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine
SMILESCCC(C)CN1CC(C)NCC1C(C)CC
InChIInChI=1S/C14H30N2/c1-6-11(3)9-16-10-13(5)15-8-14(16)12(4)7-2/h11-15H,6-10H2,1-5H3
InChIKeyNWHGDHUNSNETOR-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine?
The IUPAC name of 2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine (CID 64844318) is 2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine is CCC(C)CN1CC(C)NCC1C(C)CC.
What is the InChIKey of 2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine?
The InChIKey is NWHGDHUNSNETOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-11(3)9-16-10-13(5)15-8-14(16)12(4)7-2/h11-15H,6-10H2,1-5H3.
What are the key properties of 2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine?
2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine is sourced from PubChem (CID 64844318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).