4-(4-methyl-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine

C12H19F3N4 — CID 77085462

IUPAC4-(4-methyl-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine
SMILESCC(CN1CCC(c2nncn2C)CC1)C(F)(F)F
InChIInChI=1S/C12H19F3N4/c1-9(12(13,14)15)7-19-5-3-10(4-6-19)11-17-16-8-18(11)2/h8-10H,3-7H2,1-2H3
InChIKeyPXBRIXLZYSWQMW-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.19
Rot. Bonds3

About 4-(4-methyl-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine

4-(4-methyl-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine (PubChem CID 77085462) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-(4-methyl-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-(4-methyl-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine
PubChem CID77085462
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name4-(4-methyl-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine
SMILESCC(CN1CCC(c2nncn2C)CC1)C(F)(F)F
InChIInChI=1S/C12H19F3N4/c1-9(12(13,14)15)7-19-5-3-10(4-6-19)11-17-16-8-18(11)2/h8-10H,3-7H2,1-2H3
InChIKeyPXBRIXLZYSWQMW-UHFFFAOYSA-N
XLogP2.19
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 25658249
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 79605567
4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 46737139
4-(4-ethyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988339
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride hydrate
CID 75531205
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine dihydrochloride
CID 132300878
1-cyclohexyl-4-(4-isopropyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192541
4-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192546
3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62693866

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine?
The IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine (CID 77085462) is 4-(4-methyl-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine.
What is the SMILES notation for 4-(4-methyl-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine?
The canonical SMILES for 4-(4-methyl-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine is CC(CN1CCC(c2nncn2C)CC1)C(F)(F)F.
What is the InChIKey of 4-(4-methyl-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine?
The InChIKey is PXBRIXLZYSWQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-9(12(13,14)15)7-19-5-3-10(4-6-19)11-17-16-8-18(11)2/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-(4-methyl-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine?
4-(4-methyl-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine has a molecular weight of 276.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine is sourced from PubChem (CID 77085462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).