2-(difluoromethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

C16H17F5N4O — CID 168826671

IUPAC2-(difluoromethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCn1cc(C2CC(O)(c3ccc(C(F)(F)F)cc3)CC(C(F)F)N2)nn1
InChIInChI=1S/C16H17F5N4O/c1-25-8-13(23-24-25)11-6-15(26,7-12(22-11)14(17)18)9-2-4-10(5-3-9)16(19,20)21/h2-5,8,11-12,14,22,26H,6-7H2,1H3
InChIKeyLNULQOLMXHWBEE-UHFFFAOYSA-N
MW376.33 g/mol
LogP2.78
Rot. Bonds3

About 2-(difluoromethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

2-(difluoromethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 168826671) has the molecular formula C16H17F5N4O and a molecular weight of 376.33 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID168826671
Molecular FormulaC16H17F5N4O
Molecular Weight376.33 g/mol
Exact Mass376.13
IUPAC Name2-(difluoromethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCn1cc(C2CC(O)(c3ccc(C(F)(F)F)cc3)CC(C(F)F)N2)nn1
InChIInChI=1S/C16H17F5N4O/c1-25-8-13(23-24-25)11-6-15(26,7-12(22-11)14(17)18)9-2-4-10(5-3-9)16(19,20)21/h2-5,8,11-12,14,22,26H,6-7H2,1H3
InChIKeyLNULQOLMXHWBEE-UHFFFAOYSA-N
XLogP2.78
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 2-(difluoromethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol (CID 168826671) is 2-(difluoromethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 2-(difluoromethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 2-(difluoromethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is Cn1cc(C2CC(O)(c3ccc(C(F)(F)F)cc3)CC(C(F)F)N2)nn1.
What is the InChIKey of 2-(difluoromethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is LNULQOLMXHWBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F5N4O/c1-25-8-13(23-24-25)11-6-15(26,7-12(22-11)14(17)18)9-2-4-10(5-3-9)16(19,20)21/h2-5,8,11-12,14,22,26H,6-7H2,1H3.
What are the key properties of 2-(difluoromethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol?
2-(difluoromethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 376.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 168826671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).