5-butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one

C18H25F2NO2 — CID 59757752

IUPAC5-butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one
SMILESCCCCC1CNC(C(O)CCc2cc(F)cc(F)c2)CC1=O
InChIInChI=1S/C18H25F2NO2/c1-2-3-4-13-11-21-16(10-18(13)23)17(22)6-5-12-7-14(19)9-15(20)8-12/h7-9,13,16-17,21-22H,2-6,10-11H2,1H3
InChIKeyFSZOKNXIZIGBFT-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.00
Rot. Bonds7

About 5-butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one

5-butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one (PubChem CID 59757752) has the molecular formula C18H25F2NO2 and a molecular weight of 325.40 g/mol. Its IUPAC name is 5-butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one.

Molecular Properties

Compound Name5-butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one
PubChem CID59757752
Molecular FormulaC18H25F2NO2
Molecular Weight325.40 g/mol
Exact Mass325.19
IUPAC Name5-butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one
SMILESCCCCC1CNC(C(O)CCc2cc(F)cc(F)c2)CC1=O
InChIInChI=1S/C18H25F2NO2/c1-2-3-4-13-11-21-16(10-18(13)23)17(22)6-5-12-7-14(19)9-15(20)8-12/h7-9,13,16-17,21-22H,2-6,10-11H2,1H3
InChIKeyFSZOKNXIZIGBFT-UHFFFAOYSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one?
The IUPAC name of 5-butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one (CID 59757752) is 5-butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one.
What is the SMILES notation for 5-butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one?
The canonical SMILES for 5-butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one is CCCCC1CNC(C(O)CCc2cc(F)cc(F)c2)CC1=O.
What is the InChIKey of 5-butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one?
The InChIKey is FSZOKNXIZIGBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2NO2/c1-2-3-4-13-11-21-16(10-18(13)23)17(22)6-5-12-7-14(19)9-15(20)8-12/h7-9,13,16-17,21-22H,2-6,10-11H2,1H3.
What are the key properties of 5-butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one?
5-butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one has a molecular weight of 325.40 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one is sourced from PubChem (CID 59757752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).