2,5-dimethyl-1-(oxepan-4-yl)piperazine

C12H24N2O — CID 65078858

IUPAC2,5-dimethyl-1-(oxepan-4-yl)piperazine
SMILESCC1CN(C2CCCOCC2)C(C)CN1
InChIInChI=1S/C12H24N2O/c1-10-9-14(11(2)8-13-10)12-4-3-6-15-7-5-12/h10-13H,3-9H2,1-2H3
InChIKeyYWISJEYTBXASLU-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds1

About 2,5-dimethyl-1-(oxepan-4-yl)piperazine

2,5-dimethyl-1-(oxepan-4-yl)piperazine (PubChem CID 65078858) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,5-dimethyl-1-(oxepan-4-yl)piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-(oxepan-4-yl)piperazine
PubChem CID65078858
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2,5-dimethyl-1-(oxepan-4-yl)piperazine
SMILESCC1CN(C2CCCOCC2)C(C)CN1
InChIInChI=1S/C12H24N2O/c1-10-9-14(11(2)8-13-10)12-4-3-6-15-7-5-12/h10-13H,3-9H2,1-2H3
InChIKeyYWISJEYTBXASLU-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-1-(oxan-3-yl)piperazine
CID 64937625
1-cyclopropyl-2,5-dimethylpiperazine
CID 64954280
(2S,5S)-1-cyclopropyl-2,5-dimethylpiperazine;dihydrochloride
CID 162342302
2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine
CID 65089178
2,5-dimethyl-1-(1-methylpiperidin-3-yl)piperazine
CID 64936770
1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine
CID 65094925
2,5-dimethyl-1-(4-propan-2-ylcyclohexyl)piperazine
CID 64979562
5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine
CID 64937820
2-cyclopropyl-5-methyl-1-(oxolan-3-yl)piperazine
CID 64845693
1-cyclopentyl-5-methyl-2-propan-2-ylpiperazine
CID 64954285
1-cyclooctyl-5-cyclopropyl-2-methylpiperazine
CID 64931171
1-cyclohexyl-2-cyclopropyl-5-methylpiperazine
CID 82936330

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(oxepan-4-yl)piperazine?
The IUPAC name of 2,5-dimethyl-1-(oxepan-4-yl)piperazine (CID 65078858) is 2,5-dimethyl-1-(oxepan-4-yl)piperazine.
What is the SMILES notation for 2,5-dimethyl-1-(oxepan-4-yl)piperazine?
The canonical SMILES for 2,5-dimethyl-1-(oxepan-4-yl)piperazine is CC1CN(C2CCCOCC2)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-(oxepan-4-yl)piperazine?
The InChIKey is YWISJEYTBXASLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-9-14(11(2)8-13-10)12-4-3-6-15-7-5-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-(oxepan-4-yl)piperazine?
2,5-dimethyl-1-(oxepan-4-yl)piperazine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(oxepan-4-yl)piperazine is sourced from PubChem (CID 65078858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).