5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine

C18H31F4N3O — CID 162618218

IUPAC5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine
SMILESCNC1CN(C2COC2)CC(CC(C)N2CCC(F)(F)C(C)C2)C1(F)F
InChIInChI=1S/C18H31F4N3O/c1-12-7-24(5-4-17(12,19)20)13(2)6-14-8-25(15-10-26-11-15)9-16(23-3)18(14,21)22/h12-16,23H,4-11H2,1-3H3
InChIKeyWZWLCRNEZGYTAS-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.30
Rot. Bonds5

About 5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine

5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine (PubChem CID 162618218) has the molecular formula C18H31F4N3O and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine
PubChem CID162618218
Molecular FormulaC18H31F4N3O
Molecular Weight381.46 g/mol
Exact Mass381.24
IUPAC Name5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine
SMILESCNC1CN(C2COC2)CC(CC(C)N2CCC(F)(F)C(C)C2)C1(F)F
InChIInChI=1S/C18H31F4N3O/c1-12-7-24(5-4-17(12,19)20)13(2)6-14-8-25(15-10-26-11-15)9-16(23-3)18(14,21)22/h12-16,23H,4-11H2,1-3H3
InChIKeyWZWLCRNEZGYTAS-UHFFFAOYSA-N
XLogP2.30
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine?
The IUPAC name of 5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine (CID 162618218) is 5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine.
What is the SMILES notation for 5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine?
The canonical SMILES for 5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine is CNC1CN(C2COC2)CC(CC(C)N2CCC(F)(F)C(C)C2)C1(F)F.
What is the InChIKey of 5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine?
The InChIKey is WZWLCRNEZGYTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31F4N3O/c1-12-7-24(5-4-17(12,19)20)13(2)6-14-8-25(15-10-26-11-15)9-16(23-3)18(14,21)22/h12-16,23H,4-11H2,1-3H3.
What are the key properties of 5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine?
5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine has a molecular weight of 381.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine is sourced from PubChem (CID 162618218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).