5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine

C14H30N2 — CID 64841815

IUPAC5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine
SMILESCC(C)CCN1CC(C(C)(C)C)NCC1C
InChIInChI=1S/C14H30N2/c1-11(2)7-8-16-10-13(14(4,5)6)15-9-12(16)3/h11-13,15H,7-10H2,1-6H3
InChIKeyDNQMVQAOZLWJMR-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds3

About 5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine

5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine (PubChem CID 64841815) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine
PubChem CID64841815
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine
SMILESCC(C)CCN1CC(C(C)(C)C)NCC1C
InChIInChI=1S/C14H30N2/c1-11(2)7-8-16-10-13(14(4,5)6)15-9-12(16)3/h11-13,15H,7-10H2,1-6H3
InChIKeyDNQMVQAOZLWJMR-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

5-tert-butyl-1-heptyl-2-methylpiperazine
CID 64841619
5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
CID 64941761
5-tert-butyl-2-methyl-1-propan-2-ylpiperazine
CID 64841228
5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine
CID 83169228
5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine
CID 114944393
5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine
CID 64930181
2-methyl-1-(4-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64939631
5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64841627
5-tert-butyl-1-[(1-ethylcyclobutyl)methyl]-2-methylpiperazine
CID 114109452
2-butan-2-yl-5-tert-butyl-1-propylpiperazine
CID 64841066
5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine
CID 64934187
5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
CID 64840877

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine?
The IUPAC name of 5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine (CID 64841815) is 5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine is CC(C)CCN1CC(C(C)(C)C)NCC1C.
What is the InChIKey of 5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine?
The InChIKey is DNQMVQAOZLWJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(2)7-8-16-10-13(14(4,5)6)15-9-12(16)3/h11-13,15H,7-10H2,1-6H3.
What are the key properties of 5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine?
5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine is sourced from PubChem (CID 64841815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).