1-(3-methylpentyl)-4-(oxetan-3-yl)piperazine

C13H26N2O — CID 126577556

IUPAC1-(3-methylpentyl)-4-(oxetan-3-yl)piperazine
SMILESCCC(C)CCN1CCN(C2COC2)CC1
InChIInChI=1S/C13H26N2O/c1-3-12(2)4-5-14-6-8-15(9-7-14)13-10-16-11-13/h12-13H,3-11H2,1-2H3
InChIKeyGAQLWTKRSJMADN-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.44
Rot. Bonds5

About 1-(3-methylpentyl)-4-(oxetan-3-yl)piperazine

1-(3-methylpentyl)-4-(oxetan-3-yl)piperazine (PubChem CID 126577556) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(3-methylpentyl)-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-(3-methylpentyl)-4-(oxetan-3-yl)piperazine
PubChem CID126577556
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(3-methylpentyl)-4-(oxetan-3-yl)piperazine
SMILESCCC(C)CCN1CCN(C2COC2)CC1
InChIInChI=1S/C13H26N2O/c1-3-12(2)4-5-14-6-8-15(9-7-14)13-10-16-11-13/h12-13H,3-11H2,1-2H3
InChIKeyGAQLWTKRSJMADN-UHFFFAOYSA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentyl)-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-(3-methylpentyl)-4-(oxetan-3-yl)piperazine (CID 126577556) is 1-(3-methylpentyl)-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-(3-methylpentyl)-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-(3-methylpentyl)-4-(oxetan-3-yl)piperazine is CCC(C)CCN1CCN(C2COC2)CC1.
What is the InChIKey of 1-(3-methylpentyl)-4-(oxetan-3-yl)piperazine?
The InChIKey is GAQLWTKRSJMADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-12(2)4-5-14-6-8-15(9-7-14)13-10-16-11-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-(3-methylpentyl)-4-(oxetan-3-yl)piperazine?
1-(3-methylpentyl)-4-(oxetan-3-yl)piperazine has a molecular weight of 226.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentyl)-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 126577556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).