1-butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine

C17H32FN3O2 — CID 134339939

IUPAC1-butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
SMILESCCCCN1CC(N)C(OC2CCN(C3COC3)CC2)C(F)C1
InChIInChI=1S/C17H32FN3O2/c1-2-3-6-20-9-15(18)17(16(19)10-20)23-14-4-7-21(8-5-14)13-11-22-12-13/h13-17H,2-12,19H2,1H3
InChIKeyKQEPITYJHPWNNQ-UHFFFAOYSA-N
MW329.46 g/mol
LogP1.02
Rot. Bonds6

About 1-butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine

1-butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine (PubChem CID 134339939) has the molecular formula C17H32FN3O2 and a molecular weight of 329.46 g/mol. Its IUPAC name is 1-butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine.

Molecular Properties

Compound Name1-butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
PubChem CID134339939
Molecular FormulaC17H32FN3O2
Molecular Weight329.46 g/mol
Exact Mass329.25
IUPAC Name1-butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
SMILESCCCCN1CC(N)C(OC2CCN(C3COC3)CC2)C(F)C1
InChIInChI=1S/C17H32FN3O2/c1-2-3-6-20-9-15(18)17(16(19)10-20)23-14-4-7-21(8-5-14)13-11-22-12-13/h13-17H,2-12,19H2,1H3
InChIKeyKQEPITYJHPWNNQ-UHFFFAOYSA-N
XLogP1.02
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine?
The IUPAC name of 1-butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine (CID 134339939) is 1-butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine.
What is the SMILES notation for 1-butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine?
The canonical SMILES for 1-butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine is CCCCN1CC(N)C(OC2CCN(C3COC3)CC2)C(F)C1.
What is the InChIKey of 1-butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine?
The InChIKey is KQEPITYJHPWNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FN3O2/c1-2-3-6-20-9-15(18)17(16(19)10-20)23-14-4-7-21(8-5-14)13-11-22-12-13/h13-17H,2-12,19H2,1H3.
What are the key properties of 1-butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine?
1-butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine has a molecular weight of 329.46 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine is sourced from PubChem (CID 134339939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).