3-fluoro-3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide

C8H15FN2O2 — CID 127013170

IUPAC3-fluoro-3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(F)(CO)C1
InChIInChI=1S/C8H15FN2O2/c1-10-7(13)11-4-2-3-8(9,5-11)6-12/h12H,2-6H2,1H3,(H,10,13)
InChIKeyNLAHUIPHMYLZGL-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.12
Rot. Bonds1

About 3-fluoro-3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide

3-fluoro-3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide (PubChem CID 127013170) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 3-fluoro-3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide
PubChem CID127013170
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name3-fluoro-3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(F)(CO)C1
InChIInChI=1S/C8H15FN2O2/c1-10-7(13)11-4-2-3-8(9,5-11)6-12/h12H,2-6H2,1H3,(H,10,13)
InChIKeyNLAHUIPHMYLZGL-UHFFFAOYSA-N
XLogP0.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide?
The IUPAC name of 3-fluoro-3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide (CID 127013170) is 3-fluoro-3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 3-fluoro-3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCCC(F)(CO)C1.
What is the InChIKey of 3-fluoro-3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide?
The InChIKey is NLAHUIPHMYLZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O2/c1-10-7(13)11-4-2-3-8(9,5-11)6-12/h12H,2-6H2,1H3,(H,10,13).
What are the key properties of 3-fluoro-3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide?
3-fluoro-3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide has a molecular weight of 190.22 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 127013170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).