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

C13H18N4O — CID 53192047

IUPAC1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc(C2CCCN(Cc3ccco3)C2)n[nH]1
InChIInChI=1S/C13H18N4O/c1-10-14-13(16-15-10)11-4-2-6-17(8-11)9-12-5-3-7-18-12/h3,5,7,11H,2,4,6,8-9H2,1H3,(H,14,15,16)
InChIKeyOBYBBONITJSKEB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.09
Rot. Bonds3

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

1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192047) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID53192047
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc(C2CCCN(Cc3ccco3)C2)n[nH]1
InChIInChI=1S/C13H18N4O/c1-10-14-13(16-15-10)11-4-2-6-17(8-11)9-12-5-3-7-18-12/h3,5,7,11H,2,4,6,8-9H2,1H3,(H,14,15,16)
InChIKeyOBYBBONITJSKEB-UHFFFAOYSA-N
XLogP2.09
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 125439338
4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706410
3-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 131943740
N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-methoxyacetamide
CID 91921019
4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
CID 129374249
1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 124750539
5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901768
(3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97321201
4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine
CID 99999435
8-fluoro-2-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 124906846
1-(furan-2-ylmethyl)-3-(2-methylpropyl)piperidine
CID 169242230
2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 99960236

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (CID 53192047) is 1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is Cc1nc(C2CCCN(Cc3ccco3)C2)n[nH]1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is OBYBBONITJSKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-14-13(16-15-10)11-4-2-6-17(8-11)9-12-5-3-7-18-12/h3,5,7,11H,2,4,6,8-9H2,1H3,(H,14,15,16).
What are the key properties of 1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 246.31 g/mol, XLogP of 2.09, 3 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-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).