3,3-diethyl-1-(oxan-3-ylmethyl)piperazine

C14H28N2O — CID 64952342

IUPAC3,3-diethyl-1-(oxan-3-ylmethyl)piperazine
SMILESCCC1(CC)CN(CC2CCCOC2)CCN1
InChIInChI=1S/C14H28N2O/c1-3-14(4-2)12-16(8-7-15-14)10-13-6-5-9-17-11-13/h13,15H,3-12H2,1-2H3
InChIKeyQNFPMXGEHFBCJG-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds4

About 3,3-diethyl-1-(oxan-3-ylmethyl)piperazine

3,3-diethyl-1-(oxan-3-ylmethyl)piperazine (PubChem CID 64952342) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3,3-diethyl-1-(oxan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name3,3-diethyl-1-(oxan-3-ylmethyl)piperazine
PubChem CID64952342
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3,3-diethyl-1-(oxan-3-ylmethyl)piperazine
SMILESCCC1(CC)CN(CC2CCCOC2)CCN1
InChIInChI=1S/C14H28N2O/c1-3-14(4-2)12-16(8-7-15-14)10-13-6-5-9-17-11-13/h13,15H,3-12H2,1-2H3
InChIKeyQNFPMXGEHFBCJG-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
CID 79350271
1-(oxan-3-ylmethyl)pyrrolidine
CID 91805344
3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid
CID 65068448
3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine
CID 64952742
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3-diethylpiperazine
CID 64952021
3-ethyl-3-methyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine
CID 64953729
1-(oxan-3-ylmethyl)piperidin-3-amine
CID 63741135
3-(2-methylpropyl)-1-(oxan-3-ylmethyl)-1,4-diazepane
CID 64950927
3-methyl-1-(oxolan-3-ylmethyl)piperidin-3-ol
CID 115873758
3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine
CID 64832698
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
2-(oxolan-3-ylmethyl)-2,8-diazaspiro[5.5]undecane
CID 102849336

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(oxan-3-ylmethyl)piperazine?
The IUPAC name of 3,3-diethyl-1-(oxan-3-ylmethyl)piperazine (CID 64952342) is 3,3-diethyl-1-(oxan-3-ylmethyl)piperazine.
What is the SMILES notation for 3,3-diethyl-1-(oxan-3-ylmethyl)piperazine?
The canonical SMILES for 3,3-diethyl-1-(oxan-3-ylmethyl)piperazine is CCC1(CC)CN(CC2CCCOC2)CCN1.
What is the InChIKey of 3,3-diethyl-1-(oxan-3-ylmethyl)piperazine?
The InChIKey is QNFPMXGEHFBCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-14(4-2)12-16(8-7-15-14)10-13-6-5-9-17-11-13/h13,15H,3-12H2,1-2H3.
What are the key properties of 3,3-diethyl-1-(oxan-3-ylmethyl)piperazine?
3,3-diethyl-1-(oxan-3-ylmethyl)piperazine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(oxan-3-ylmethyl)piperazine is sourced from PubChem (CID 64952342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).