3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propan-1-one

C15H25F2NO3 — CID 103209229

IUPAC3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCOCC(F)F)N1CCCCC1C1CCCC1O
InChIInChI=1S/C15H25F2NO3/c16-14(17)10-21-9-7-15(20)18-8-2-1-5-12(18)11-4-3-6-13(11)19/h11-14,19H,1-10H2
InChIKeyOOERKXLVGSGAAX-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.20
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propan-1-one

3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propan-1-one (PubChem CID 103209229) has the molecular formula C15H25F2NO3 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propan-1-one
PubChem CID103209229
Molecular FormulaC15H25F2NO3
Molecular Weight305.37 g/mol
Exact Mass305.18
IUPAC Name3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCOCC(F)F)N1CCCCC1C1CCCC1O
InChIInChI=1S/C15H25F2NO3/c16-14(17)10-21-9-7-15(20)18-8-2-1-5-12(18)11-4-3-6-13(11)19/h11-14,19H,1-10H2
InChIKeyOOERKXLVGSGAAX-UHFFFAOYSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propan-1-one (CID 103209229) is 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propan-1-one is O=C(CCOCC(F)F)N1CCCCC1C1CCCC1O.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propan-1-one?
The InChIKey is OOERKXLVGSGAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO3/c16-14(17)10-21-9-7-15(20)18-8-2-1-5-12(18)11-4-3-6-13(11)19/h11-14,19H,1-10H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propan-1-one?
3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propan-1-one has a molecular weight of 305.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 103209229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).