2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine

C18H38N2 — CID 64847163

IUPAC2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine
SMILESCCCCCCCN1CC(C)(CC)NCC1C(C)CC
InChIInChI=1S/C18H38N2/c1-6-9-10-11-12-13-20-15-18(5,8-3)19-14-17(20)16(4)7-2/h16-17,19H,6-15H2,1-5H3
InChIKeyXLAYAQUOLLWWLW-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.45
Rot. Bonds9

About 2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine

2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine (PubChem CID 64847163) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine
PubChem CID64847163
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine
SMILESCCCCCCCN1CC(C)(CC)NCC1C(C)CC
InChIInChI=1S/C18H38N2/c1-6-9-10-11-12-13-20-15-18(5,8-3)19-14-17(20)16(4)7-2/h16-17,19H,6-15H2,1-5H3
InChIKeyXLAYAQUOLLWWLW-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-yl-5-ethyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64847164
8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64875646
5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327069
5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008842
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine
CID 64947304
5,5-diethyl-1-octyl-2-propan-2-ylpiperazine
CID 64860045
5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine
CID 82947083
1-butyl-5-ethyl-2,5-dimethylpiperazine
CID 64849431
2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine
CID 82936177
2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64847544
1-butyl-2,5-diethyl-5-methylpiperazine
CID 64847702

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine?
The IUPAC name of 2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine (CID 64847163) is 2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine.
What is the SMILES notation for 2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine?
The canonical SMILES for 2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine is CCCCCCCN1CC(C)(CC)NCC1C(C)CC.
What is the InChIKey of 2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine?
The InChIKey is XLAYAQUOLLWWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-6-9-10-11-12-13-20-15-18(5,8-3)19-14-17(20)16(4)7-2/h16-17,19H,6-15H2,1-5H3.
What are the key properties of 2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine?
2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine has a molecular weight of 282.52 g/mol, XLogP of 4.45, 9 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-ethyl-1-heptyl-5-methylpiperazine is sourced from PubChem (CID 64847163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).