5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine

C13H26N2O — CID 64937820

IUPAC5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine
SMILESCC1CN(C2CCCOC2)C(C(C)C)CN1
InChIInChI=1S/C13H26N2O/c1-10(2)13-7-14-11(3)8-15(13)12-5-4-6-16-9-12/h10-14H,4-9H2,1-3H3
InChIKeyPXTOHHMIMHZSDR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.48
Rot. Bonds2

About 5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine

5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine (PubChem CID 64937820) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine
PubChem CID64937820
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine
SMILESCC1CN(C2CCCOC2)C(C(C)C)CN1
InChIInChI=1S/C13H26N2O/c1-10(2)13-7-14-11(3)8-15(13)12-5-4-6-16-9-12/h10-14H,4-9H2,1-3H3
InChIKeyPXTOHHMIMHZSDR-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-5-methyl-2-propan-2-ylpiperazine
CID 64954285
5-tert-butyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine
CID 64940437
2,5-dimethyl-1-(oxan-3-yl)piperazine
CID 64937625
9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane
CID 65471309
3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide
CID 64938017
5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine
CID 114122816
2,5-dimethyl-1-(oxepan-4-yl)piperazine
CID 65078858
2-cyclopropyl-5-methyl-1-(oxolan-3-yl)piperazine
CID 64845693
1-cycloheptyl-2,5-di(propan-2-yl)piperazine
CID 64936529
1-(2,4-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937246
(2R)-2-methyl-1-(oxan-3-yl)piperazine
CID 104973743
1-cyclopropyl-2,5-di(propan-2-yl)piperazine
CID 64954463

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine (CID 64937820) is 5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine is CC1CN(C2CCCOC2)C(C(C)C)CN1.
What is the InChIKey of 5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine?
The InChIKey is PXTOHHMIMHZSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)13-7-14-11(3)8-15(13)12-5-4-6-16-9-12/h10-14H,4-9H2,1-3H3.
What are the key properties of 5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine?
5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine has a molecular weight of 226.36 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64937820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).