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

C15H22N4O — CID 91653888

IUPAC1-(furan-3-ylmethyl)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1C1CCCCN1Cc1ccoc1
InChIInChI=1S/C15H22N4O/c1-2-7-19-12-16-17-15(19)14-5-3-4-8-18(14)10-13-6-9-20-11-13/h6,9,11-12,14H,2-5,7-8,10H2,1H3
InChIKeyBDALJQDGAPFOAR-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.01
Rot. Bonds5

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

1-(furan-3-ylmethyl)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 91653888) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine
PubChem CID91653888
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-(furan-3-ylmethyl)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1C1CCCCN1Cc1ccoc1
InChIInChI=1S/C15H22N4O/c1-2-7-19-12-16-17-15(19)14-5-3-4-8-18(14)10-13-6-9-20-11-13/h6,9,11-12,14H,2-5,7-8,10H2,1H3
InChIKeyBDALJQDGAPFOAR-UHFFFAOYSA-N
XLogP3.01
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(furan-3-ylmethyl)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine (CID 91653888) is 1-(furan-3-ylmethyl)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(furan-3-ylmethyl)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine is CCCn1cnnc1C1CCCCN1Cc1ccoc1.
What is the InChIKey of 1-(furan-3-ylmethyl)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is BDALJQDGAPFOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-7-19-12-16-17-15(19)14-5-3-4-8-18(14)10-13-6-9-20-11-13/h6,9,11-12,14H,2-5,7-8,10H2,1H3.
What are the key properties of 1-(furan-3-ylmethyl)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine?
1-(furan-3-ylmethyl)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 274.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 91653888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).