1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine

C15H32N2 — CID 79445824

IUPAC1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine
SMILESCCC(C)N1CC(C(C)(C)C)NCC1(C)CC
InChIInChI=1S/C15H32N2/c1-8-12(3)17-10-13(14(4,5)6)16-11-15(17,7)9-2/h12-13,16H,8-11H2,1-7H3
InChIKeyUGBJLFNOAUBZRN-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.27
Rot. Bonds3

About 1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine

1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine (PubChem CID 79445824) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine
PubChem CID79445824
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine
SMILESCCC(C)N1CC(C(C)(C)C)NCC1(C)CC
InChIInChI=1S/C15H32N2/c1-8-12(3)17-10-13(14(4,5)6)16-11-15(17,7)9-2/h12-13,16H,8-11H2,1-7H3
InChIKeyUGBJLFNOAUBZRN-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine?
The IUPAC name of 1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine (CID 79445824) is 1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine?
The canonical SMILES for 1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine is CCC(C)N1CC(C(C)(C)C)NCC1(C)CC.
What is the InChIKey of 1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine?
The InChIKey is UGBJLFNOAUBZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-8-12(3)17-10-13(14(4,5)6)16-11-15(17,7)9-2/h12-13,16H,8-11H2,1-7H3.
What are the key properties of 1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine?
1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine has a molecular weight of 240.43 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-tert-butyl-2-ethyl-2-methylpiperazine is sourced from PubChem (CID 79445824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).