(3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C14H14F2N4O — CID 84594383

IUPAC(3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCCCC1c1ncn[nH]1
InChIInChI=1S/C14H14F2N4O/c15-10-5-4-9(7-11(10)16)14(21)20-6-2-1-3-12(20)13-17-8-18-19-13/h4-5,7-8,12H,1-3,6H2,(H,17,18,19)
InChIKeyVBWZILRNXCVJIV-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.45
Rot. Bonds2

About (3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

(3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 84594383) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID84594383
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name(3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCCCC1c1ncn[nH]1
InChIInChI=1S/C14H14F2N4O/c15-10-5-4-9(7-11(10)16)14(21)20-6-2-1-3-12(20)13-17-8-18-19-13/h4-5,7-8,12H,1-3,6H2,(H,17,18,19)
InChIKeyVBWZILRNXCVJIV-UHFFFAOYSA-N
XLogP2.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 84594383) is (3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCCCC1c1ncn[nH]1.
What is the InChIKey of (3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is VBWZILRNXCVJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c15-10-5-4-9(7-11(10)16)14(21)20-6-2-1-3-12(20)13-17-8-18-19-13/h4-5,7-8,12H,1-3,6H2,(H,17,18,19).
What are the key properties of (3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 292.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 84594383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).