1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone

C15H19F2NO3 — CID 6363229

IUPAC1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC[C@@H]1CO)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2NO3/c16-15(17)21-13-6-4-11(5-7-13)14(20)9-18-8-2-1-3-12(18)10-19/h4-7,12,15,19H,1-3,8-10H2/t12-/m1/s1
InChIKeyRICZBJKYDZWQLM-GFCCVEGCSA-N
MW299.32 g/mol
LogP2.32
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone

1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 6363229) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID6363229
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC[C@@H]1CO)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2NO3/c16-15(17)21-13-6-4-11(5-7-13)14(20)9-18-8-2-1-3-12(18)10-19/h4-7,12,15,19H,1-3,8-10H2/t12-/m1/s1
InChIKeyRICZBJKYDZWQLM-GFCCVEGCSA-N
XLogP2.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62035218
2-[2-(hydroxymethyl)azepan-1-yl]-1-(4-methylphenyl)ethanone
CID 116635378
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921510
[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 75467118
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanone
CID 62036905
1-(3,4-dihydroxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62035024
2-[2-(hydroxymethyl)azepan-1-yl]-1-(4-propylphenyl)ethanone
CID 116635374
1-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62036321
[2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 116639899
[4-(difluoromethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 90649899
1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 82256579
1-(3-bromo-4-methoxyphenyl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635406

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone (CID 6363229) is 1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(CN1CCCC[C@@H]1CO)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is RICZBJKYDZWQLM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19F2NO3/c16-15(17)21-13-6-4-11(5-7-13)14(20)9-18-8-2-1-3-12(18)10-19/h4-7,12,15,19H,1-3,8-10H2/t12-/m1/s1.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone?
1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 299.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 6363229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).