1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine

C11H16F2N4 — CID 166265085

IUPAC1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine
SMILESCC1CCN(c2n[nH]c(C3CC3(F)F)n2)CC1
InChIInChI=1S/C11H16F2N4/c1-7-2-4-17(5-3-7)10-14-9(15-16-10)8-6-11(8,12)13/h7-8H,2-6H2,1H3,(H,14,15,16)
InChIKeyIDRWVOVEWYWLKS-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.16
Rot. Bonds2

About 1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine

1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine (PubChem CID 166265085) has the molecular formula C11H16F2N4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine
PubChem CID166265085
Molecular FormulaC11H16F2N4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine
SMILESCC1CCN(c2n[nH]c(C3CC3(F)F)n2)CC1
InChIInChI=1S/C11H16F2N4/c1-7-2-4-17(5-3-7)10-14-9(15-16-10)8-6-11(8,12)13/h7-8H,2-6H2,1H3,(H,14,15,16)
InChIKeyIDRWVOVEWYWLKS-UHFFFAOYSA-N
XLogP2.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine?
The IUPAC name of 1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine (CID 166265085) is 1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine?
The canonical SMILES for 1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine is CC1CCN(c2n[nH]c(C3CC3(F)F)n2)CC1.
What is the InChIKey of 1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine?
The InChIKey is IDRWVOVEWYWLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4/c1-7-2-4-17(5-3-7)10-14-9(15-16-10)8-6-11(8,12)13/h7-8H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine?
1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine has a molecular weight of 242.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-difluorocyclopropyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidine is sourced from PubChem (CID 166265085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).