2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine

C15H30N2O — CID 64846119

IUPAC2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine
SMILESCCC1(CC)CNC(C)CN1CC1CCOCC1
InChIInChI=1S/C15H30N2O/c1-4-15(5-2)12-16-13(3)10-17(15)11-14-6-8-18-9-7-14/h13-14,16H,4-12H2,1-3H3
InChIKeyDXNYUQXNKSCSGX-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds4

About 2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine

2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine (PubChem CID 64846119) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine
PubChem CID64846119
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine
SMILESCCC1(CC)CNC(C)CN1CC1CCOCC1
InChIInChI=1S/C15H30N2O/c1-4-15(5-2)12-16-13(3)10-17(15)11-14-6-8-18-9-7-14/h13-14,16H,4-12H2,1-3H3
InChIKeyDXNYUQXNKSCSGX-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine?
The IUPAC name of 2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine (CID 64846119) is 2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine.
What is the SMILES notation for 2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine?
The canonical SMILES for 2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine is CCC1(CC)CNC(C)CN1CC1CCOCC1.
What is the InChIKey of 2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine?
The InChIKey is DXNYUQXNKSCSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-15(5-2)12-16-13(3)10-17(15)11-14-6-8-18-9-7-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine?
2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine is sourced from PubChem (CID 64846119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).