4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine

C15H20N4O — CID 31125414

IUPAC4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine
SMILESc1cc(CN2CCC(n3cc(C4CC4)nn3)CC2)co1
InChIInChI=1S/C15H20N4O/c1-2-13(1)15-10-19(17-16-15)14-3-6-18(7-4-14)9-12-5-8-20-11-12/h5,8,10-11,13-14H,1-4,6-7,9H2
InChIKeyYJZOWGRQBXHUTB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.59
Rot. Bonds4

About 4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine

4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine (PubChem CID 31125414) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine
PubChem CID31125414
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine
SMILESc1cc(CN2CCC(n3cc(C4CC4)nn3)CC2)co1
InChIInChI=1S/C15H20N4O/c1-2-13(1)15-10-19(17-16-15)14-3-6-18(7-4-14)9-12-5-8-20-11-12/h5,8,10-11,13-14H,1-4,6-7,9H2
InChIKeyYJZOWGRQBXHUTB-UHFFFAOYSA-N
XLogP2.59
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine?
The IUPAC name of 4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine (CID 31125414) is 4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine.
What is the SMILES notation for 4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine?
The canonical SMILES for 4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine is c1cc(CN2CCC(n3cc(C4CC4)nn3)CC2)co1.
What is the InChIKey of 4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine?
The InChIKey is YJZOWGRQBXHUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-13(1)15-10-19(17-16-15)14-3-6-18(7-4-14)9-12-5-8-20-11-12/h5,8,10-11,13-14H,1-4,6-7,9H2.
What are the key properties of 4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine?
4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine has a molecular weight of 272.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine is sourced from PubChem (CID 31125414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).