1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine

C12H24N2O — CID 134178349

IUPAC1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine
SMILESCCC(C)N1CCC(NC2COC2)CC1
InChIInChI=1S/C12H24N2O/c1-3-10(2)14-6-4-11(5-7-14)13-12-8-15-9-12/h10-13H,3-9H2,1-2H3
InChIKeyIBCWMXXYTFKARH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds4

About 1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine

1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine (PubChem CID 134178349) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine
PubChem CID134178349
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine
SMILESCCC(C)N1CCC(NC2COC2)CC1
InChIInChI=1S/C12H24N2O/c1-3-10(2)14-6-4-11(5-7-14)13-12-8-15-9-12/h10-13H,3-9H2,1-2H3
InChIKeyIBCWMXXYTFKARH-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine?
The IUPAC name of 1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine (CID 134178349) is 1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine?
The canonical SMILES for 1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine is CCC(C)N1CCC(NC2COC2)CC1.
What is the InChIKey of 1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine?
The InChIKey is IBCWMXXYTFKARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-10(2)14-6-4-11(5-7-14)13-12-8-15-9-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine?
1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-(oxetan-3-yl)piperidin-4-amine is sourced from PubChem (CID 134178349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).