1-(furan-2-ylmethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine

C18H20N4O — CID 53192089

IUPAC1-(furan-2-ylmethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
SMILESc1ccc(-c2n[nH]c(C3CCCN(Cc4ccco4)C3)n2)cc1
InChIInChI=1S/C18H20N4O/c1-2-6-14(7-3-1)17-19-18(21-20-17)15-8-4-10-22(12-15)13-16-9-5-11-23-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H,19,20,21)
InChIKeyGJHZPXYFCBSROP-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.44
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine

1-(furan-2-ylmethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 53192089) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
PubChem CID53192089
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-(furan-2-ylmethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
SMILESc1ccc(-c2n[nH]c(C3CCCN(Cc4ccco4)C3)n2)cc1
InChIInChI=1S/C18H20N4O/c1-2-6-14(7-3-1)17-19-18(21-20-17)15-8-4-10-22(12-15)13-16-9-5-11-23-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H,19,20,21)
InChIKeyGJHZPXYFCBSROP-UHFFFAOYSA-N
XLogP3.44
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine (CID 53192089) is 1-(furan-2-ylmethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine is c1ccc(-c2n[nH]c(C3CCCN(Cc4ccco4)C3)n2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is GJHZPXYFCBSROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-6-14(7-3-1)17-19-18(21-20-17)15-8-4-10-22(12-15)13-16-9-5-11-23-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H,19,20,21).
What are the key properties of 1-(furan-2-ylmethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
1-(furan-2-ylmethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 308.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 53192089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).