2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine

C14H28N2O — CID 64843041

IUPAC2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine
SMILESCCC1(C)CNC(C)(C)CN1CC1CCOC1
InChIInChI=1S/C14H28N2O/c1-5-14(4)10-15-13(2,3)11-16(14)8-12-6-7-17-9-12/h12,15H,5-11H2,1-4H3
InChIKeyMQFGLJYBEJWWAF-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds3

About 2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine

2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine (PubChem CID 64843041) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine
PubChem CID64843041
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine
SMILESCCC1(C)CNC(C)(C)CN1CC1CCOC1
InChIInChI=1S/C14H28N2O/c1-5-14(4)10-15-13(2,3)11-16(14)8-12-6-7-17-9-12/h12,15H,5-11H2,1-4H3
InChIKeyMQFGLJYBEJWWAF-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

1-(cyclopentylmethyl)-2-ethyl-2,5,5-trimethylpiperazine
CID 64838567
2-cyclopropyl-5-ethyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64848711
5-cyclopropyl-2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine
CID 64860212
1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine
CID 64838559
3,3-dimethyl-1-(oxolan-3-ylmethyl)-4,5-dihydro-2H-1,4-benzodiazepine
CID 79909931
2,2-diethyl-5-methyl-1-(oxan-4-ylmethyl)piperazine
CID 64846119
2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine
CID 65097594
4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66241880
3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64886924
5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64842063
1-(cyclopentylmethyl)-2-ethyl-2-methylpiperazine
CID 64832354
3-ethyloxolane
CID 10996972

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine?
The IUPAC name of 2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine (CID 64843041) is 2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine.
What is the SMILES notation for 2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine?
The canonical SMILES for 2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine is CCC1(C)CNC(C)(C)CN1CC1CCOC1.
What is the InChIKey of 2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine?
The InChIKey is MQFGLJYBEJWWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-14(4)10-15-13(2,3)11-16(14)8-12-6-7-17-9-12/h12,15H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine?
2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine is sourced from PubChem (CID 64843041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).