2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline

C21H21F2N3O — CID 133308282

IUPAC2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline
SMILESFC(F)c1nc(N2CCCC(COc3ccccc3)C2)c2ccccc2n1
InChIInChI=1S/C21H21F2N3O/c22-19(23)20-24-18-11-5-4-10-17(18)21(25-20)26-12-6-7-15(13-26)14-27-16-8-2-1-3-9-16/h1-5,8-11,15,19H,6-7,12-14H2
InChIKeyZJRFCVGFDIKFIN-UHFFFAOYSA-N
MW369.41 g/mol
LogP4.86
Rot. Bonds5

About 2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline

2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline (PubChem CID 133308282) has the molecular formula C21H21F2N3O and a molecular weight of 369.41 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline
PubChem CID133308282
Molecular FormulaC21H21F2N3O
Molecular Weight369.41 g/mol
Exact Mass369.17
IUPAC Name2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline
SMILESFC(F)c1nc(N2CCCC(COc3ccccc3)C2)c2ccccc2n1
InChIInChI=1S/C21H21F2N3O/c22-19(23)20-24-18-11-5-4-10-17(18)21(25-20)26-12-6-7-15(13-26)14-27-16-8-2-1-3-9-16/h1-5,8-11,15,19H,6-7,12-14H2
InChIKeyZJRFCVGFDIKFIN-UHFFFAOYSA-N
XLogP4.86
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline?
The IUPAC name of 2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline (CID 133308282) is 2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline.
What is the SMILES notation for 2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline?
The canonical SMILES for 2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline is FC(F)c1nc(N2CCCC(COc3ccccc3)C2)c2ccccc2n1.
What is the InChIKey of 2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline?
The InChIKey is ZJRFCVGFDIKFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O/c22-19(23)20-24-18-11-5-4-10-17(18)21(25-20)26-12-6-7-15(13-26)14-27-16-8-2-1-3-9-16/h1-5,8-11,15,19H,6-7,12-14H2.
What are the key properties of 2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline?
2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline has a molecular weight of 369.41 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline is sourced from PubChem (CID 133308282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).