1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine

C18H20N4O — CID 87052252

IUPAC1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine
SMILESc1ccc(-n2cnnc2C2CCCCN2Cc2ccco2)cc1
InChIInChI=1S/C18H20N4O/c1-2-7-15(8-3-1)22-14-19-20-18(22)17-10-4-5-11-21(17)13-16-9-6-12-23-16/h1-3,6-9,12,14,17H,4-5,10-11,13H2
InChIKeyCABIXXKSGGKTRN-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.59
Rot. Bonds4

About 1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine

1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 87052252) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine
PubChem CID87052252
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine
SMILESc1ccc(-n2cnnc2C2CCCCN2Cc2ccco2)cc1
InChIInChI=1S/C18H20N4O/c1-2-7-15(8-3-1)22-14-19-20-18(22)17-10-4-5-11-21(17)13-16-9-6-12-23-16/h1-3,6-9,12,14,17H,4-5,10-11,13H2
InChIKeyCABIXXKSGGKTRN-UHFFFAOYSA-N
XLogP3.59
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine (CID 87052252) is 1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine is c1ccc(-n2cnnc2C2CCCCN2Cc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is CABIXXKSGGKTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-7-15(8-3-1)22-14-19-20-18(22)17-10-4-5-11-21(17)13-16-9-6-12-23-16/h1-3,6-9,12,14,17H,4-5,10-11,13H2.
What are the key properties of 1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine?
1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 308.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 87052252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).