6-ethyl-5-fluoro-6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine

C16H30FN3O2 — CID 146580014

IUPAC6-ethyl-5-fluoro-6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
SMILESCCC1(C)NCC(N)C(OC2CCN(C3COC3)CC2)C1F
InChIInChI=1S/C16H30FN3O2/c1-3-16(2)15(17)14(13(18)8-19-16)22-12-4-6-20(7-5-12)11-9-21-10-11/h11-15,19H,3-10,18H2,1-2H3
InChIKeyPRGJQTBQEOUKNE-UHFFFAOYSA-N
MW315.43 g/mol
LogP0.67
Rot. Bonds4

About 6-ethyl-5-fluoro-6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine

6-ethyl-5-fluoro-6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine (PubChem CID 146580014) has the molecular formula C16H30FN3O2 and a molecular weight of 315.43 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
PubChem CID146580014
Molecular FormulaC16H30FN3O2
Molecular Weight315.43 g/mol
Exact Mass315.23
IUPAC Name6-ethyl-5-fluoro-6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
SMILESCCC1(C)NCC(N)C(OC2CCN(C3COC3)CC2)C1F
InChIInChI=1S/C16H30FN3O2/c1-3-16(2)15(17)14(13(18)8-19-16)22-12-4-6-20(7-5-12)11-9-21-10-11/h11-15,19H,3-10,18H2,1-2H3
InChIKeyPRGJQTBQEOUKNE-UHFFFAOYSA-N
XLogP0.67
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine?
The IUPAC name of 6-ethyl-5-fluoro-6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine (CID 146580014) is 6-ethyl-5-fluoro-6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine?
The canonical SMILES for 6-ethyl-5-fluoro-6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine is CCC1(C)NCC(N)C(OC2CCN(C3COC3)CC2)C1F.
What is the InChIKey of 6-ethyl-5-fluoro-6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine?
The InChIKey is PRGJQTBQEOUKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FN3O2/c1-3-16(2)15(17)14(13(18)8-19-16)22-12-4-6-20(7-5-12)11-9-21-10-11/h11-15,19H,3-10,18H2,1-2H3.
What are the key properties of 6-ethyl-5-fluoro-6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine?
6-ethyl-5-fluoro-6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine has a molecular weight of 315.43 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-6-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine is sourced from PubChem (CID 146580014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).