1-butyl-5-ethyl-2,5-dimethylpiperazine

C12H26N2 — CID 64849431

IUPAC1-butyl-5-ethyl-2,5-dimethylpiperazine
SMILESCCCCN1CC(C)(CC)NCC1C
InChIInChI=1S/C12H26N2/c1-5-7-8-14-10-12(4,6-2)13-9-11(14)3/h11,13H,5-10H2,1-4H3
InChIKeyZFHZFFSYXXJONC-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds4

About 1-butyl-5-ethyl-2,5-dimethylpiperazine

1-butyl-5-ethyl-2,5-dimethylpiperazine (PubChem CID 64849431) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-butyl-5-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-butyl-5-ethyl-2,5-dimethylpiperazine
PubChem CID64849431
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-butyl-5-ethyl-2,5-dimethylpiperazine
SMILESCCCCN1CC(C)(CC)NCC1C
InChIInChI=1S/C12H26N2/c1-5-7-8-14-10-12(4,6-2)13-9-11(14)3/h11,13H,5-10H2,1-4H3
InChIKeyZFHZFFSYXXJONC-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-2,5-diethyl-5-methylpiperazine
CID 64847702
5-ethyl-2,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592085
5-ethyl-2,5-dimethyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64847117
5-ethyl-1-(3-methoxy-3-methylbutyl)-2,5-dimethylpiperazine
CID 103016503
1-(2,2-dimethylbutyl)-5-ethyl-2,5-dimethylpiperazine
CID 103465293
1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine
CID 64934390
1-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-2,5-dimethylpiperazine
CID 114127962
1-(cyclohexylmethyl)-5-ethyl-2,5-dimethylpiperazine
CID 64847892
2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine
CID 64847163
1-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82908046
5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408830
1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine
CID 64933741

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-butyl-5-ethyl-2,5-dimethylpiperazine (CID 64849431) is 1-butyl-5-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-butyl-5-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-butyl-5-ethyl-2,5-dimethylpiperazine is CCCCN1CC(C)(CC)NCC1C.
What is the InChIKey of 1-butyl-5-ethyl-2,5-dimethylpiperazine?
The InChIKey is ZFHZFFSYXXJONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-7-8-14-10-12(4,6-2)13-9-11(14)3/h11,13H,5-10H2,1-4H3.
What are the key properties of 1-butyl-5-ethyl-2,5-dimethylpiperazine?
1-butyl-5-ethyl-2,5-dimethylpiperazine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 64849431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).