4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine

C12H20F2N4 — CID 176692310

IUPAC4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2nc(C(F)F)n(C)n2)CC1
InChIInChI=1S/C12H20F2N4/c1-8(2)18-6-4-9(5-7-18)11-15-12(10(13)14)17(3)16-11/h8-10H,4-7H2,1-3H3
InChIKeyKCRONKGKPWQAPO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.34
Rot. Bonds3

About 4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine

4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine (PubChem CID 176692310) has the molecular formula C12H20F2N4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
PubChem CID176692310
Molecular FormulaC12H20F2N4
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2nc(C(F)F)n(C)n2)CC1
InChIInChI=1S/C12H20F2N4/c1-8(2)18-6-4-9(5-7-18)11-15-12(10(13)14)17(3)16-11/h8-10H,4-7H2,1-3H3
InChIKeyKCRONKGKPWQAPO-UHFFFAOYSA-N
XLogP2.34
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine (CID 176692310) is 4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine is CC(C)N1CCC(c2nc(C(F)F)n(C)n2)CC1.
What is the InChIKey of 4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine?
The InChIKey is KCRONKGKPWQAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4/c1-8(2)18-6-4-9(5-7-18)11-15-12(10(13)14)17(3)16-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine?
4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine has a molecular weight of 258.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 176692310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).