6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one

C17H19F3N2O2 — CID 162602765

IUPAC6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC1CCCN(c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)C1CO
InChIInChI=1S/C17H19F3N2O2/c1-10-3-2-6-22(15(10)9-23)11-4-5-14-12(7-11)13(17(18,19)20)8-16(24)21-14/h4-5,7-8,10,15,23H,2-3,6,9H2,1H3,(H,21,24)
InChIKeyHNADSMWJZYWGTR-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.14
Rot. Bonds2

About 6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one

6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 162602765) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID162602765
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC1CCCN(c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)C1CO
InChIInChI=1S/C17H19F3N2O2/c1-10-3-2-6-22(15(10)9-23)11-4-5-14-12(7-11)13(17(18,19)20)8-16(24)21-14/h4-5,7-8,10,15,23H,2-3,6,9H2,1H3,(H,21,24)
InChIKeyHNADSMWJZYWGTR-UHFFFAOYSA-N
XLogP3.14
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 162602765) is 6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one is CC1CCCN(c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)C1CO.
What is the InChIKey of 6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is HNADSMWJZYWGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-10-3-2-6-22(15(10)9-23)11-4-5-14-12(7-11)13(17(18,19)20)8-16(24)21-14/h4-5,7-8,10,15,23H,2-3,6,9H2,1H3,(H,21,24).
What are the key properties of 6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 340.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 162602765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).