1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine

C13H26N2O — CID 79001513

IUPAC1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1CC1CCCOC1
InChIInChI=1S/C13H26N2O/c1-11(2)13-8-14-5-6-15(13)9-12-4-3-7-16-10-12/h11-14H,3-10H2,1-2H3
InChIKeyNEHVFXLTKIBVFF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.34
Rot. Bonds3

About 1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine

1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine (PubChem CID 79001513) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine
PubChem CID79001513
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1CC1CCCOC1
InChIInChI=1S/C13H26N2O/c1-11(2)13-8-14-5-6-15(13)9-12-4-3-7-16-10-12/h11-14H,3-10H2,1-2H3
InChIKeyNEHVFXLTKIBVFF-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride
CID 130678897
2-(difluoromethyl)-1-(oxan-4-ylmethyl)piperazine
CID 174203443
1-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine
CID 107420870
(2R)-1-(cyclohexylmethyl)-2-(difluoromethyl)piperazine;hydrochloride
CID 165128543
(2R)-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 94982854
3-methyl-4-(piperidin-3-ylmethyl)morpholine
CID 43542278
1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine
CID 91322429
1-(oxan-3-ylmethyl)piperazin-2-one
CID 64566013
1-(oxan-3-ylmethyl)pyrrolidine
CID 91805344
2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine
CID 64947706
4-ethyl-5-(oxan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208890
1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine
CID 107901384

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine (CID 79001513) is 1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine is CC(C)C1CNCCN1CC1CCCOC1.
What is the InChIKey of 1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine?
The InChIKey is NEHVFXLTKIBVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)13-8-14-5-6-15(13)9-12-4-3-7-16-10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine?
1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine has a molecular weight of 226.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylmethyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 79001513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).