3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2,5-difluorophenyl)methyl]piperidine

C17H20F2N4 — CID 53192053

IUPAC3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2,5-difluorophenyl)methyl]piperidine
SMILESFc1ccc(F)c(CN2CCCC(c3n[nH]c(C4CC4)n3)C2)c1
InChIInChI=1S/C17H20F2N4/c18-14-5-6-15(19)13(8-14)10-23-7-1-2-12(9-23)17-20-16(21-22-17)11-3-4-11/h5-6,8,11-12H,1-4,7,9-10H2,(H,20,21,22)
InChIKeyFOLCMGOMBQALCV-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.34
Rot. Bonds4

About 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2,5-difluorophenyl)methyl]piperidine

3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2,5-difluorophenyl)methyl]piperidine (PubChem CID 53192053) has the molecular formula C17H20F2N4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2,5-difluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2,5-difluorophenyl)methyl]piperidine
PubChem CID53192053
Molecular FormulaC17H20F2N4
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2,5-difluorophenyl)methyl]piperidine
SMILESFc1ccc(F)c(CN2CCCC(c3n[nH]c(C4CC4)n3)C2)c1
InChIInChI=1S/C17H20F2N4/c18-14-5-6-15(19)13(8-14)10-23-7-1-2-12(9-23)17-20-16(21-22-17)11-3-4-11/h5-6,8,11-12H,1-4,7,9-10H2,(H,20,21,22)
InChIKeyFOLCMGOMBQALCV-UHFFFAOYSA-N
XLogP3.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2,5-difluorophenyl)methyl]piperidine?
The IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2,5-difluorophenyl)methyl]piperidine (CID 53192053) is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2,5-difluorophenyl)methyl]piperidine.
What is the SMILES notation for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2,5-difluorophenyl)methyl]piperidine?
The canonical SMILES for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2,5-difluorophenyl)methyl]piperidine is Fc1ccc(F)c(CN2CCCC(c3n[nH]c(C4CC4)n3)C2)c1.
What is the InChIKey of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2,5-difluorophenyl)methyl]piperidine?
The InChIKey is FOLCMGOMBQALCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4/c18-14-5-6-15(19)13(8-14)10-23-7-1-2-12(9-23)17-20-16(21-22-17)11-3-4-11/h5-6,8,11-12H,1-4,7,9-10H2,(H,20,21,22).
What are the key properties of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2,5-difluorophenyl)methyl]piperidine?
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2,5-difluorophenyl)methyl]piperidine has a molecular weight of 318.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2,5-difluorophenyl)methyl]piperidine is sourced from PubChem (CID 53192053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).