3-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]piperidine

C11H20N4O — CID 107044427

IUPAC3-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]piperidine
SMILESCn1cc(COCCC2CCCNC2)nn1
InChIInChI=1S/C11H20N4O/c1-15-8-11(13-14-15)9-16-6-4-10-3-2-5-12-7-10/h8,10,12H,2-7,9H2,1H3
InChIKeyMKFOXIFXCZITRT-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.72
Rot. Bonds5

About 3-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]piperidine

3-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]piperidine (PubChem CID 107044427) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name3-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]piperidine
PubChem CID107044427
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]piperidine
SMILESCn1cc(COCCC2CCCNC2)nn1
InChIInChI=1S/C11H20N4O/c1-15-8-11(13-14-15)9-16-6-4-10-3-2-5-12-7-10/h8,10,12H,2-7,9H2,1H3
InChIKeyMKFOXIFXCZITRT-UHFFFAOYSA-N
XLogP0.72
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]piperidine?
The IUPAC name of 3-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]piperidine (CID 107044427) is 3-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]piperidine.
What is the SMILES notation for 3-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]piperidine?
The canonical SMILES for 3-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]piperidine is Cn1cc(COCCC2CCCNC2)nn1.
What is the InChIKey of 3-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]piperidine?
The InChIKey is MKFOXIFXCZITRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-15-8-11(13-14-15)9-16-6-4-10-3-2-5-12-7-10/h8,10,12H,2-7,9H2,1H3.
What are the key properties of 3-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]piperidine?
3-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]piperidine has a molecular weight of 224.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-methyltriazol-4-yl)methoxy]ethyl]piperidine is sourced from PubChem (CID 107044427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).