5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine

C16H32N2O — CID 64848456

IUPAC5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine
SMILESCCC(C)C1CN(C2CCOC2)C(CC)(CC)CN1
InChIInChI=1S/C16H32N2O/c1-5-13(4)15-10-18(14-8-9-19-11-14)16(6-2,7-3)12-17-15/h13-15,17H,5-12H2,1-4H3
InChIKeyWZHRCGKRGOWNQR-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds5

About 5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine

5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine (PubChem CID 64848456) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine
PubChem CID64848456
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine
SMILESCCC(C)C1CN(C2CCOC2)C(CC)(CC)CN1
InChIInChI=1S/C16H32N2O/c1-5-13(4)15-10-18(14-8-9-19-11-14)16(6-2,7-3)12-17-15/h13-15,17H,5-12H2,1-4H3
InChIKeyWZHRCGKRGOWNQR-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine?
The IUPAC name of 5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine (CID 64848456) is 5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine?
The canonical SMILES for 5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine is CCC(C)C1CN(C2CCOC2)C(CC)(CC)CN1.
What is the InChIKey of 5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine?
The InChIKey is WZHRCGKRGOWNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-13(4)15-10-18(14-8-9-19-11-14)16(6-2,7-3)12-17-15/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine?
5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine has a molecular weight of 268.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2,2-diethyl-1-(oxolan-3-yl)piperazine is sourced from PubChem (CID 64848456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).