1-[2-(2-methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol

C17H20F3N3O2 — CID 162349511

IUPAC1-[2-(2-methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCc1nc(OCCN2CCC(O)(C(F)(F)F)CC2)c2ccccc2n1
InChIInChI=1S/C17H20F3N3O2/c1-12-21-14-5-3-2-4-13(14)15(22-12)25-11-10-23-8-6-16(24,7-9-23)17(18,19)20/h2-5,24H,6-11H2,1H3
InChIKeyVLRBSULBPSVVNL-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.71
Rot. Bonds4

About 1-[2-(2-methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol

1-[2-(2-methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 162349511) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-[2-(2-methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(2-methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID162349511
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name1-[2-(2-methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCc1nc(OCCN2CCC(O)(C(F)(F)F)CC2)c2ccccc2n1
InChIInChI=1S/C17H20F3N3O2/c1-12-21-14-5-3-2-4-13(14)15(22-12)25-11-10-23-8-6-16(24,7-9-23)17(18,19)20/h2-5,24H,6-11H2,1H3
InChIKeyVLRBSULBPSVVNL-UHFFFAOYSA-N
XLogP2.71
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[2-(2-methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol (CID 162349511) is 1-[2-(2-methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[2-(2-methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[2-(2-methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol is Cc1nc(OCCN2CCC(O)(C(F)(F)F)CC2)c2ccccc2n1.
What is the InChIKey of 1-[2-(2-methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is VLRBSULBPSVVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-12-21-14-5-3-2-4-13(14)15(22-12)25-11-10-23-8-6-16(24,7-9-23)17(18,19)20/h2-5,24H,6-11H2,1H3.
What are the key properties of 1-[2-(2-methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[2-(2-methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 355.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylquinazolin-4-yl)oxyethyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 162349511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).