4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine

C19H23F3N4 — CID 72940712

IUPAC4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine
SMILESCN1CCC(n2nc(C3CC3)nc2Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H23F3N4/c1-25-9-7-16(8-10-25)26-17(23-18(24-26)14-5-6-14)12-13-3-2-4-15(11-13)19(20,21)22/h2-4,11,14,16H,5-10,12H2,1H3
InChIKeyGVDVWFVUEWYJAD-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.03
Rot. Bonds4

About 4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine

4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine (PubChem CID 72940712) has the molecular formula C19H23F3N4 and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine
PubChem CID72940712
Molecular FormulaC19H23F3N4
Molecular Weight364.42 g/mol
Exact Mass364.19
IUPAC Name4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine
SMILESCN1CCC(n2nc(C3CC3)nc2Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H23F3N4/c1-25-9-7-16(8-10-25)26-17(23-18(24-26)14-5-6-14)12-13-3-2-4-15(11-13)19(20,21)22/h2-4,11,14,16H,5-10,12H2,1H3
InChIKeyGVDVWFVUEWYJAD-UHFFFAOYSA-N
XLogP4.03
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
7-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151554
7-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117156872
4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 47003100
1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110539722
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 61462002
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417
2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904384
3-[1-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-4-yl]benzoic acid
CID 67185817
[3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
CID 117152265
[4-(aminomethyl)phenyl]methanamine;cyclohexanamine;N,1-dimethylpiperidin-4-amine;[3-(trifluoromethyl)phenyl]methanamine
CID 70122063
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine?
The IUPAC name of 4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine (CID 72940712) is 4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine?
The canonical SMILES for 4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine is CN1CCC(n2nc(C3CC3)nc2Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine?
The InChIKey is GVDVWFVUEWYJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4/c1-25-9-7-16(8-10-25)26-17(23-18(24-26)14-5-6-14)12-13-3-2-4-15(11-13)19(20,21)22/h2-4,11,14,16H,5-10,12H2,1H3.
What are the key properties of 4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine?
4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine has a molecular weight of 364.42 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine is sourced from PubChem (CID 72940712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).