1-[4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one

C16H29FN2O2 — CID 171550650

IUPAC1-[4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(CCN2CCC(O)C(F)C2)CC1
InChIInChI=1S/C16H29FN2O2/c1-12(2)16(21)19-9-4-13(5-10-19)3-7-18-8-6-15(20)14(17)11-18/h12-15,20H,3-11H2,1-2H3
InChIKeyWIVVBQFJQMOGNZ-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.68
Rot. Bonds4

About 1-[4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 171550650) has the molecular formula C16H29FN2O2 and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-[4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID171550650
Molecular FormulaC16H29FN2O2
Molecular Weight300.42 g/mol
Exact Mass300.22
IUPAC Name1-[4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(CCN2CCC(O)C(F)C2)CC1
InChIInChI=1S/C16H29FN2O2/c1-12(2)16(21)19-9-4-13(5-10-19)3-7-18-8-6-15(20)14(17)11-18/h12-15,20H,3-11H2,1-2H3
InChIKeyWIVVBQFJQMOGNZ-UHFFFAOYSA-N
XLogP1.68
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one
CID 139353882
1-(3-Fluoro-4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 156077402
1-[4-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanone
CID 156187211
1-[4-[2-(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156187618
1-[4-[2-(3-Fluoro-4-methoxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156707378
1-[4-[(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 156707400
1-[4-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 156707401
1-[4-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
CID 156707530
Cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 157039119
1-[4-[(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 165372729
1-[4-[2-[3-Fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 165372730
1-[4-[[3-Fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 165372738

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one (CID 171550650) is 1-[4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(CCN2CCC(O)C(F)C2)CC1.
What is the InChIKey of 1-[4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is WIVVBQFJQMOGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN2O2/c1-12(2)16(21)19-9-4-13(5-10-19)3-7-18-8-6-15(20)14(17)11-18/h12-15,20H,3-11H2,1-2H3.
What are the key properties of 1-[4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 300.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 171550650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).