[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol

C13H17F2NO2 — CID 102960143

IUPAC[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
SMILESCOC1CCCN(c2c(F)cc(CO)cc2F)C1
InChIInChI=1S/C13H17F2NO2/c1-18-10-3-2-4-16(7-10)13-11(14)5-9(8-17)6-12(13)15/h5-6,10,17H,2-4,7-8H2,1H3
InChIKeyHCGSFTGHEWBQFW-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.07
Rot. Bonds3

About [3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol

[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol (PubChem CID 102960143) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is [3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
PubChem CID102960143
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
SMILESCOC1CCCN(c2c(F)cc(CO)cc2F)C1
InChIInChI=1S/C13H17F2NO2/c1-18-10-3-2-4-16(7-10)13-11(14)5-9(8-17)6-12(13)15/h5-6,10,17H,2-4,7-8H2,1H3
InChIKeyHCGSFTGHEWBQFW-UHFFFAOYSA-N
XLogP2.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
CID 102968802
[1-[2,6-difluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626308
1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196736
[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
[4-(4-ethoxypiperidin-1-yl)-3,5-difluorophenyl]methanol
CID 55148134
[3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine
CID 63075929
[2-(3-methoxypiperidin-1-yl)-6-propyl-4-pyridinyl]methanol
CID 102964270
1-[3-(chloromethyl)-5-fluorophenyl]-3-methoxypiperidine
CID 106530547
1-[2,6-difluoro-4-(hydroxymethyl)phenyl]piperidin-4-ol
CID 63075653
2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 63783199
N-[[3,5-difluoro-4-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 63052451
5-fluoro-2-(3-methoxypiperidin-1-yl)pyrimidine
CID 134532206

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol (CID 102960143) is [3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol is COC1CCCN(c2c(F)cc(CO)cc2F)C1.
What is the InChIKey of [3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol?
The InChIKey is HCGSFTGHEWBQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-18-10-3-2-4-16(7-10)13-11(14)5-9(8-17)6-12(13)15/h5-6,10,17H,2-4,7-8H2,1H3.
What are the key properties of [3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol?
[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol has a molecular weight of 257.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 102960143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).