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

C12H19F3N4 — CID 99932002

IUPAC4-(4-methyl-1,2,4-triazol-3-yl)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine
SMILESC[C@H](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/t9-/m1/s1
InChIKeyPXBRIXLZYSWQMW-SECBINFHSA-N
MW276.31 g/mol
LogP2.19
Rot. Bonds3

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

4-(4-methyl-1,2,4-triazol-3-yl)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine (PubChem CID 99932002) 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-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine.

Molecular Properties

Compound Name4-(4-methyl-1,2,4-triazol-3-yl)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine
PubChem CID99932002
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name4-(4-methyl-1,2,4-triazol-3-yl)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine
SMILESC[C@H](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/t9-/m1/s1
InChIKeyPXBRIXLZYSWQMW-SECBINFHSA-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine?
The IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine (CID 99932002) is 4-(4-methyl-1,2,4-triazol-3-yl)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine.
What is the SMILES notation for 4-(4-methyl-1,2,4-triazol-3-yl)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine?
The canonical SMILES for 4-(4-methyl-1,2,4-triazol-3-yl)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine is C[C@H](CN1CCC(c2nncn2C)CC1)C(F)(F)F.
What is the InChIKey of 4-(4-methyl-1,2,4-triazol-3-yl)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine?
The InChIKey is PXBRIXLZYSWQMW-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of 4-(4-methyl-1,2,4-triazol-3-yl)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine?
4-(4-methyl-1,2,4-triazol-3-yl)-1-[(2R)-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-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine is sourced from PubChem (CID 99932002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).