(3-hydroxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C17H16F3NO2 — CID 24819718

IUPAC(3-hydroxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2cc1O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)13-6-3-7-21(10-13)16(23)14-8-11-4-1-2-5-12(11)9-15(14)22/h1-2,4-5,8-9,13,22H,3,6-7,10H2
InChIKeyUCFYXGWJPIGLIA-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.96
Rot. Bonds1

About (3-hydroxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(3-hydroxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 24819718) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is (3-hydroxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID24819718
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name(3-hydroxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2cc1O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)13-6-3-7-21(10-13)16(23)14-8-11-4-1-2-5-12(11)9-15(14)22/h1-2,4-5,8-9,13,22H,3,6-7,10H2
InChIKeyUCFYXGWJPIGLIA-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 24819718) is (3-hydroxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cc2ccccc2cc1O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (3-hydroxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is UCFYXGWJPIGLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c18-17(19,20)13-6-3-7-21(10-13)16(23)14-8-11-4-1-2-5-12(11)9-15(14)22/h1-2,4-5,8-9,13,22H,3,6-7,10H2.
What are the key properties of (3-hydroxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(3-hydroxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 323.31 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 24819718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).