1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide

C14H18F2N2O2 — CID 103196736

IUPAC1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2c(F)cc(CO)cc2F)C1
InChIInChI=1S/C14H18F2N2O2/c1-17-14(20)10-3-2-4-18(7-10)13-11(15)5-9(8-19)6-12(13)16/h5-6,10,19H,2-4,7-8H2,1H3,(H,17,20)
InChIKeyROONYCPJSQCRRS-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.42
Rot. Bonds3

About 1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide

1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103196736) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
PubChem CID103196736
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2c(F)cc(CO)cc2F)C1
InChIInChI=1S/C14H18F2N2O2/c1-17-14(20)10-3-2-4-18(7-10)13-11(15)5-9(8-19)6-12(13)16/h5-6,10,19H,2-4,7-8H2,1H3,(H,17,20)
InChIKeyROONYCPJSQCRRS-UHFFFAOYSA-N
XLogP1.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
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

3,5-difluoro-4-[3-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 103196242
[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960143
1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103194423
1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196768
1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194407
[1-[2,6-difluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626308
1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194586
1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide
CID 103197016
1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103195931
[1-[2,6-difluoro-4-(methylaminomethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626635
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
CID 107105854
1-(4-amino-1-methylpyrazol-3-yl)-N-methylpiperidine-3-carboxamide
CID 103194366

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide (CID 103196736) is 1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2c(F)cc(CO)cc2F)C1.
What is the InChIKey of 1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is ROONYCPJSQCRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-17-14(20)10-3-2-4-18(7-10)13-11(15)5-9(8-19)6-12(13)16/h5-6,10,19H,2-4,7-8H2,1H3,(H,17,20).
What are the key properties of 1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide?
1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103196736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).