1,5-di(butan-2-yl)-2,2-diethylpiperazine

C16H34N2 — CID 79445458

IUPAC1,5-di(butan-2-yl)-2,2-diethylpiperazine
SMILESCCC(C)C1CN(C(C)CC)C(CC)(CC)CN1
InChIInChI=1S/C16H34N2/c1-7-13(5)15-11-18(14(6)8-2)16(9-3,10-4)12-17-15/h13-15,17H,7-12H2,1-6H3
InChIKeyJWCHCSLSJKDYCV-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.66
Rot. Bonds6

About 1,5-di(butan-2-yl)-2,2-diethylpiperazine

1,5-di(butan-2-yl)-2,2-diethylpiperazine (PubChem CID 79445458) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1,5-di(butan-2-yl)-2,2-diethylpiperazine.

Molecular Properties

Compound Name1,5-di(butan-2-yl)-2,2-diethylpiperazine
PubChem CID79445458
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1,5-di(butan-2-yl)-2,2-diethylpiperazine
SMILESCCC(C)C1CN(C(C)CC)C(CC)(CC)CN1
InChIInChI=1S/C16H34N2/c1-7-13(5)15-11-18(14(6)8-2)16(9-3,10-4)12-17-15/h13-15,17H,7-12H2,1-6H3
InChIKeyJWCHCSLSJKDYCV-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-di(butan-2-yl)-2,2-diethylpiperazine?
The IUPAC name of 1,5-di(butan-2-yl)-2,2-diethylpiperazine (CID 79445458) is 1,5-di(butan-2-yl)-2,2-diethylpiperazine.
What is the SMILES notation for 1,5-di(butan-2-yl)-2,2-diethylpiperazine?
The canonical SMILES for 1,5-di(butan-2-yl)-2,2-diethylpiperazine is CCC(C)C1CN(C(C)CC)C(CC)(CC)CN1.
What is the InChIKey of 1,5-di(butan-2-yl)-2,2-diethylpiperazine?
The InChIKey is JWCHCSLSJKDYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-13(5)15-11-18(14(6)8-2)16(9-3,10-4)12-17-15/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 1,5-di(butan-2-yl)-2,2-diethylpiperazine?
1,5-di(butan-2-yl)-2,2-diethylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(butan-2-yl)-2,2-diethylpiperazine is sourced from PubChem (CID 79445458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).