1-butan-2-yl-5-tert-butyl-2,2-diethylpiperazine

C16H34N2 — CID 79445825

IUPAC1-butan-2-yl-5-tert-butyl-2,2-diethylpiperazine
SMILESCCC(C)N1CC(C(C)(C)C)NCC1(CC)CC
InChIInChI=1S/C16H34N2/c1-8-13(4)18-11-14(15(5,6)7)17-12-16(18,9-2)10-3/h13-14,17H,8-12H2,1-7H3
InChIKeyVMXUASLWOQRMRI-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.66
Rot. Bonds4

About 1-butan-2-yl-5-tert-butyl-2,2-diethylpiperazine

1-butan-2-yl-5-tert-butyl-2,2-diethylpiperazine (PubChem CID 79445825) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-butan-2-yl-5-tert-butyl-2,2-diethylpiperazine.

Molecular Properties

Compound Name1-butan-2-yl-5-tert-butyl-2,2-diethylpiperazine
PubChem CID79445825
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-butan-2-yl-5-tert-butyl-2,2-diethylpiperazine
SMILESCCC(C)N1CC(C(C)(C)C)NCC1(CC)CC
InChIInChI=1S/C16H34N2/c1-8-13(4)18-11-14(15(5,6)7)17-12-16(18,9-2)10-3/h13-14,17H,8-12H2,1-7H3
InChIKeyVMXUASLWOQRMRI-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.66
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-2,2-diethylpiperazine?
The IUPAC name of 1-butan-2-yl-5-tert-butyl-2,2-diethylpiperazine (CID 79445825) is 1-butan-2-yl-5-tert-butyl-2,2-diethylpiperazine.
What is the SMILES notation for 1-butan-2-yl-5-tert-butyl-2,2-diethylpiperazine?
The canonical SMILES for 1-butan-2-yl-5-tert-butyl-2,2-diethylpiperazine is CCC(C)N1CC(C(C)(C)C)NCC1(CC)CC.
What is the InChIKey of 1-butan-2-yl-5-tert-butyl-2,2-diethylpiperazine?
The InChIKey is VMXUASLWOQRMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-8-13(4)18-11-14(15(5,6)7)17-12-16(18,9-2)10-3/h13-14,17H,8-12H2,1-7H3.
What are the key properties of 1-butan-2-yl-5-tert-butyl-2,2-diethylpiperazine?
1-butan-2-yl-5-tert-butyl-2,2-diethylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.66, 4 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-2,2-diethylpiperazine is sourced from PubChem (CID 79445825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).