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

C15H22N4O — CID 53192568

IUPAC1-(furan-3-ylmethyl)-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C15H22N4O/c1-12(2)19-11-16-17-15(19)14-3-6-18(7-4-14)9-13-5-8-20-10-13/h5,8,10-12,14H,3-4,6-7,9H2,1-2H3
InChIKeySJSKHTGXBUBSHV-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.83
Rot. Bonds4

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

1-(furan-3-ylmethyl)-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192568) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID53192568
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-(furan-3-ylmethyl)-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C15H22N4O/c1-12(2)19-11-16-17-15(19)14-3-6-18(7-4-14)9-13-5-8-20-10-13/h5,8,10-12,14H,3-4,6-7,9H2,1-2H3
InChIKeySJSKHTGXBUBSHV-UHFFFAOYSA-N
XLogP2.83
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.83
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)-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(furan-3-ylmethyl)-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 53192568) is 1-(furan-3-ylmethyl)-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(furan-3-ylmethyl)-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CC(C)n1cnnc1C1CCN(Cc2ccoc2)CC1.
What is the InChIKey of 1-(furan-3-ylmethyl)-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is SJSKHTGXBUBSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(2)19-11-16-17-15(19)14-3-6-18(7-4-14)9-13-5-8-20-10-13/h5,8,10-12,14H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-(furan-3-ylmethyl)-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-(furan-3-ylmethyl)-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 274.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).