1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidine-3-carboxamide

C13H17FN2O2 — CID 43121018

IUPAC1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(CO)cc2F)C1
InChIInChI=1S/C13H17FN2O2/c14-11-6-9(8-17)3-4-12(11)16-5-1-2-10(7-16)13(15)18/h3-4,6,10,17H,1-2,5,7-8H2,(H2,15,18)
InChIKeyQVDYRIIMSIUZEH-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.02
Rot. Bonds3

About 1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidine-3-carboxamide

1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidine-3-carboxamide (PubChem CID 43121018) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidine-3-carboxamide
PubChem CID43121018
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(CO)cc2F)C1
InChIInChI=1S/C13H17FN2O2/c14-11-6-9(8-17)3-4-12(11)16-5-1-2-10(7-16)13(15)18/h3-4,6,10,17H,1-2,5,7-8H2,(H2,15,18)
InChIKeyQVDYRIIMSIUZEH-UHFFFAOYSA-N
XLogP1.02
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.02
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidine-3-carboxamide (CID 43121018) is 1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(CO)cc2F)C1.
What is the InChIKey of 1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is QVDYRIIMSIUZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-6-9(8-17)3-4-12(11)16-5-1-2-10(7-16)13(15)18/h3-4,6,10,17H,1-2,5,7-8H2,(H2,15,18).
What are the key properties of 1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidine-3-carboxamide?
1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43121018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).