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

C17H20F2N4 — CID 53192275

IUPAC4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3,5-difluorophenyl)methyl]piperidine
SMILESFc1cc(F)cc(CN2CCC(c3nc(C4CC4)n[nH]3)CC2)c1
InChIInChI=1S/C17H20F2N4/c18-14-7-11(8-15(19)9-14)10-23-5-3-13(4-6-23)17-20-16(21-22-17)12-1-2-12/h7-9,12-13H,1-6,10H2,(H,20,21,22)
InChIKeyOCWCIZQNZVJINY-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.34
Rot. Bonds4

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

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3,5-difluorophenyl)methyl]piperidine (PubChem CID 53192275) has the molecular formula C17H20F2N4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3,5-difluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3,5-difluorophenyl)methyl]piperidine
PubChem CID53192275
Molecular FormulaC17H20F2N4
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3,5-difluorophenyl)methyl]piperidine
SMILESFc1cc(F)cc(CN2CCC(c3nc(C4CC4)n[nH]3)CC2)c1
InChIInChI=1S/C17H20F2N4/c18-14-7-11(8-15(19)9-14)10-23-5-3-13(4-6-23)17-20-16(21-22-17)12-1-2-12/h7-9,12-13H,1-6,10H2,(H,20,21,22)
InChIKeyOCWCIZQNZVJINY-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 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3,5-difluorophenyl)methyl]piperidine?
The IUPAC name of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3,5-difluorophenyl)methyl]piperidine (CID 53192275) is 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3,5-difluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3,5-difluorophenyl)methyl]piperidine?
The canonical SMILES for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3,5-difluorophenyl)methyl]piperidine is Fc1cc(F)cc(CN2CCC(c3nc(C4CC4)n[nH]3)CC2)c1.
What is the InChIKey of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3,5-difluorophenyl)methyl]piperidine?
The InChIKey is OCWCIZQNZVJINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4/c18-14-7-11(8-15(19)9-14)10-23-5-3-13(4-6-23)17-20-16(21-22-17)12-1-2-12/h7-9,12-13H,1-6,10H2,(H,20,21,22).
What are the key properties of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3,5-difluorophenyl)methyl]piperidine?
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3,5-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 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3,5-difluorophenyl)methyl]piperidine is sourced from PubChem (CID 53192275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).