1-(2,2-dimethylbutyl)-3,3-diethylpiperazine

C14H30N2 — CID 103465193

IUPAC1-(2,2-dimethylbutyl)-3,3-diethylpiperazine
SMILESCCC(C)(C)CN1CCNC(CC)(CC)C1
InChIInChI=1S/C14H30N2/c1-6-13(4,5)11-16-10-9-15-14(7-2,8-3)12-16/h15H,6-12H2,1-5H3
InChIKeyBZNJZBQYTRUJPR-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds5

About 1-(2,2-dimethylbutyl)-3,3-diethylpiperazine

1-(2,2-dimethylbutyl)-3,3-diethylpiperazine (PubChem CID 103465193) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-3,3-diethylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-3,3-diethylpiperazine
PubChem CID103465193
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(2,2-dimethylbutyl)-3,3-diethylpiperazine
SMILESCCC(C)(C)CN1CCNC(CC)(CC)C1
InChIInChI=1S/C14H30N2/c1-6-13(4,5)11-16-10-9-15-14(7-2,8-3)12-16/h15H,6-12H2,1-5H3
InChIKeyBZNJZBQYTRUJPR-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
CID 79350271
3,3-diethyl-1-(3-methylbutyl)piperazine
CID 64833456
1-(2,3-dimethylbutyl)-3,3-diethylpiperazine
CID 64952652
3,3-diethyl-1-(4-methylpentyl)piperazine
CID 64953195
3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane
CID 103465296
3,3-diethyl-1-(3-methylpentan-3-yl)-1,4-diazepane
CID 114174377
3,3-diethyl-1-(7-methyloctyl)piperazine
CID 107818414
3,3-diethyl-1-pentan-3-ylpiperazine
CID 64925599
1-(2,2,4,4-tetramethylhexyl)piperazine
CID 134351462
3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008742
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3-diethylpiperazine
CID 64952021
3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine
CID 64926173

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-3,3-diethylpiperazine?
The IUPAC name of 1-(2,2-dimethylbutyl)-3,3-diethylpiperazine (CID 103465193) is 1-(2,2-dimethylbutyl)-3,3-diethylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-3,3-diethylpiperazine?
The canonical SMILES for 1-(2,2-dimethylbutyl)-3,3-diethylpiperazine is CCC(C)(C)CN1CCNC(CC)(CC)C1.
What is the InChIKey of 1-(2,2-dimethylbutyl)-3,3-diethylpiperazine?
The InChIKey is BZNJZBQYTRUJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-13(4,5)11-16-10-9-15-14(7-2,8-3)12-16/h15H,6-12H2,1-5H3.
What are the key properties of 1-(2,2-dimethylbutyl)-3,3-diethylpiperazine?
1-(2,2-dimethylbutyl)-3,3-diethylpiperazine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-3,3-diethylpiperazine is sourced from PubChem (CID 103465193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).