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

C16H34N2 — CID 64848260

IUPAC5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine
SMILESCCC(C)CN1CC(C(C)CC)NCC1(C)CC
InChIInChI=1S/C16H34N2/c1-7-13(4)10-18-11-15(14(5)8-2)17-12-16(18,6)9-3/h13-15,17H,7-12H2,1-6H3
InChIKeyAYDDFRZWKVSGRO-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds6

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

5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine (PubChem CID 64848260) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine
PubChem CID64848260
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine
SMILESCCC(C)CN1CC(C(C)CC)NCC1(C)CC
InChIInChI=1S/C16H34N2/c1-7-13(4)10-18-11-15(14(5)8-2)17-12-16(18,6)9-3/h13-15,17H,7-12H2,1-6H3
InChIKeyAYDDFRZWKVSGRO-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-2,2-diethyl-1-(2-methylbutyl)piperazine
CID 64848840
5-butan-2-yl-2-ethyl-2-methyl-1-propylpiperazine
CID 64847681
5-butan-2-yl-1-(cyclopropylmethyl)-2-ethyl-2-methylpiperazine
CID 64849416
2-ethyl-2-methyl-1-(2-methylbutyl)-5-propylpiperazine
CID 64838038
5-butan-2-yl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine
CID 65462478
5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine
CID 106440446
5-cyclohexyl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine
CID 64861356
5-butan-2-yl-2-ethyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64847296
2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine
CID 64840227
1-[(5-bromo-2-pyridinyl)methyl]-5-butan-2-yl-2-ethyl-2-methylpiperazine
CID 104812499
5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine
CID 64849409
5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64849613

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine (CID 64848260) is 5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine is CCC(C)CN1CC(C(C)CC)NCC1(C)CC.
What is the InChIKey of 5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine?
The InChIKey is AYDDFRZWKVSGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-13(4)10-18-11-15(14(5)8-2)17-12-16(18,6)9-3/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine?
5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine is sourced from PubChem (CID 64848260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).