(2R)-2-methylpiperidine;6-(trifluoromethyl)-1H-pyridin-2-one

C12H17F3N2O — CID 177205270

IUPAC(2R)-2-methylpiperidine;6-(trifluoromethyl)-1H-pyridin-2-one
SMILESC[C@@H]1CCCCN1.O=c1cccc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H4F3NO.C6H13N/c7-6(8,9)4-2-1-3-5(11)10-4;1-6-4-2-3-5-7-6/h1-3H,(H,10,11);6-7H,2-5H2,1H3/t;6-/m.1/s1
InChIKeyAUWXVOXSFZSOOI-FCXZQVPUSA-N
MW262.27 g/mol
LogP2.54
Rot. Bonds

About (2R)-2-methylpiperidine;6-(trifluoromethyl)-1H-pyridin-2-one

(2R)-2-methylpiperidine;6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 177205270) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is (2R)-2-methylpiperidine;6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name(2R)-2-methylpiperidine;6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID177205270
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name(2R)-2-methylpiperidine;6-(trifluoromethyl)-1H-pyridin-2-one
SMILESC[C@@H]1CCCCN1.O=c1cccc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H4F3NO.C6H13N/c7-6(8,9)4-2-1-3-5(11)10-4;1-6-4-2-3-5-7-6/h1-3H,(H,10,11);6-7H,2-5H2,1H3/t;6-/m.1/s1
InChIKeyAUWXVOXSFZSOOI-FCXZQVPUSA-N
XLogP2.54
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylpiperidine;6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of (2R)-2-methylpiperidine;6-(trifluoromethyl)-1H-pyridin-2-one (CID 177205270) is (2R)-2-methylpiperidine;6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for (2R)-2-methylpiperidine;6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for (2R)-2-methylpiperidine;6-(trifluoromethyl)-1H-pyridin-2-one is C[C@@H]1CCCCN1.O=c1cccc(C(F)(F)F)[nH]1.
What is the InChIKey of (2R)-2-methylpiperidine;6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is AUWXVOXSFZSOOI-FCXZQVPUSA-N. The full InChI is InChI=1S/C6H4F3NO.C6H13N/c7-6(8,9)4-2-1-3-5(11)10-4;1-6-4-2-3-5-7-6/h1-3H,(H,10,11);6-7H,2-5H2,1H3/t;6-/m.1/s1.
What are the key properties of (2R)-2-methylpiperidine;6-(trifluoromethyl)-1H-pyridin-2-one?
(2R)-2-methylpiperidine;6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 262.27 g/mol, XLogP of 2.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylpiperidine;6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 177205270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).