4-piperidin-4-yl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine

C14H17F3N2O — CID 71242631

IUPAC4-piperidin-4-yl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine
SMILESFC(F)(F)c1ccc2c(c1)OCCN2C1CCNCC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)10-1-2-12-13(9-10)20-8-7-19(12)11-3-5-18-6-4-11/h1-2,9,11,18H,3-8H2
InChIKeyWCSKNWFFQDUSSR-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.66
Rot. Bonds1

About 4-piperidin-4-yl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine

4-piperidin-4-yl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 71242631) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-piperidin-4-yl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-piperidin-4-yl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID71242631
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name4-piperidin-4-yl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine
SMILESFC(F)(F)c1ccc2c(c1)OCCN2C1CCNCC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)10-1-2-12-13(9-10)20-8-7-19(12)11-3-5-18-6-4-11/h1-2,9,11,18H,3-8H2
InChIKeyWCSKNWFFQDUSSR-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-piperidin-4-yl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine (CID 71242631) is 4-piperidin-4-yl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-piperidin-4-yl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-piperidin-4-yl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine is FC(F)(F)c1ccc2c(c1)OCCN2C1CCNCC1.
What is the InChIKey of 4-piperidin-4-yl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is WCSKNWFFQDUSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)10-1-2-12-13(9-10)20-8-7-19(12)11-3-5-18-6-4-11/h1-2,9,11,18H,3-8H2.
What are the key properties of 4-piperidin-4-yl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine?
4-piperidin-4-yl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 286.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 71242631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).