[4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone

C17H23F2N3O2 — CID 146140363

IUPAC[4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(N2CCC(O)(C(F)F)CC2)ccn1)N1CCCCC1
InChIInChI=1S/C17H23F2N3O2/c18-16(19)17(24)5-10-21(11-6-17)13-4-7-20-14(12-13)15(23)22-8-2-1-3-9-22/h4,7,12,16,24H,1-3,5-6,8-11H2
InChIKeyHFZVWZFUIHGYAU-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.30
Rot. Bonds3

About [4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone

[4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 146140363) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is [4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID146140363
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name[4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(N2CCC(O)(C(F)F)CC2)ccn1)N1CCCCC1
InChIInChI=1S/C17H23F2N3O2/c18-16(19)17(24)5-10-21(11-6-17)13-4-7-20-14(12-13)15(23)22-8-2-1-3-9-22/h4,7,12,16,24H,1-3,5-6,8-11H2
InChIKeyHFZVWZFUIHGYAU-UHFFFAOYSA-N
XLogP2.30
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone (CID 146140363) is [4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cc(N2CCC(O)(C(F)F)CC2)ccn1)N1CCCCC1.
What is the InChIKey of [4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is HFZVWZFUIHGYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c18-16(19)17(24)5-10-21(11-6-17)13-4-7-20-14(12-13)15(23)22-8-2-1-3-9-22/h4,7,12,16,24H,1-3,5-6,8-11H2.
What are the key properties of [4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone?
[4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 339.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 146140363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).