3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride

C22H24ClF3N4O — CID 67665767

IUPAC3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride
SMILESCl.Cn1nncc1C1(OCc2cccc(C(F)(F)F)c2)CCCNC1c1ccccc1
InChIInChI=1S/C22H23F3N4O.ClH/c1-29-19(14-27-28-29)21(11-6-12-26-20(21)17-8-3-2-4-9-17)30-15-16-7-5-10-18(13-16)22(23,24)25;/h2-5,7-10,13-14,20,26H,6,11-12,15H2,1H3;1H
InChIKeyHQZNQDIBVFFJPZ-UHFFFAOYSA-N
MW452.91 g/mol
LogP4.79
Rot. Bonds5

About 3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride

3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride (PubChem CID 67665767) has the molecular formula C22H24ClF3N4O and a molecular weight of 452.91 g/mol. Its IUPAC name is 3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride.

Molecular Properties

Compound Name3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride
PubChem CID67665767
Molecular FormulaC22H24ClF3N4O
Molecular Weight452.91 g/mol
Exact Mass452.16
IUPAC Name3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride
SMILESCl.Cn1nncc1C1(OCc2cccc(C(F)(F)F)c2)CCCNC1c1ccccc1
InChIInChI=1S/C22H23F3N4O.ClH/c1-29-19(14-27-28-29)21(11-6-12-26-20(21)17-8-3-2-4-9-17)30-15-16-7-5-10-18(13-16)22(23,24)25;/h2-5,7-10,13-14,20,26H,6,11-12,15H2,1H3;1H
InChIKeyHQZNQDIBVFFJPZ-UHFFFAOYSA-N
XLogP4.79
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.91
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride?
The IUPAC name of 3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride (CID 67665767) is 3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride.
What is the SMILES notation for 3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride?
The canonical SMILES for 3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride is Cl.Cn1nncc1C1(OCc2cccc(C(F)(F)F)c2)CCCNC1c1ccccc1.
What is the InChIKey of 3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride?
The InChIKey is HQZNQDIBVFFJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O.ClH/c1-29-19(14-27-28-29)21(11-6-12-26-20(21)17-8-3-2-4-9-17)30-15-16-7-5-10-18(13-16)22(23,24)25;/h2-5,7-10,13-14,20,26H,6,11-12,15H2,1H3;1H.
What are the key properties of 3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride?
3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride has a molecular weight of 452.91 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride is sourced from PubChem (CID 67665767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).