4-[(3-methyltriazol-4-yl)oxymethyl]piperidine

C9H16N4O — CID 84667041

IUPAC4-[(3-methyltriazol-4-yl)oxymethyl]piperidine
SMILESCn1nncc1OCC1CCNCC1
InChIInChI=1S/C9H16N4O/c1-13-9(6-11-12-13)14-7-8-2-4-10-5-3-8/h6,8,10H,2-5,7H2,1H3
InChIKeyIUVVHAJWYFWKEJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.19
Rot. Bonds3

About 4-[(3-methyltriazol-4-yl)oxymethyl]piperidine

4-[(3-methyltriazol-4-yl)oxymethyl]piperidine (PubChem CID 84667041) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[(3-methyltriazol-4-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name4-[(3-methyltriazol-4-yl)oxymethyl]piperidine
PubChem CID84667041
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-[(3-methyltriazol-4-yl)oxymethyl]piperidine
SMILESCn1nncc1OCC1CCNCC1
InChIInChI=1S/C9H16N4O/c1-13-9(6-11-12-13)14-7-8-2-4-10-5-3-8/h6,8,10H,2-5,7H2,1H3
InChIKeyIUVVHAJWYFWKEJ-UHFFFAOYSA-N
XLogP0.19
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyltriazol-4-yl)oxymethyl]piperidine?
The IUPAC name of 4-[(3-methyltriazol-4-yl)oxymethyl]piperidine (CID 84667041) is 4-[(3-methyltriazol-4-yl)oxymethyl]piperidine.
What is the SMILES notation for 4-[(3-methyltriazol-4-yl)oxymethyl]piperidine?
The canonical SMILES for 4-[(3-methyltriazol-4-yl)oxymethyl]piperidine is Cn1nncc1OCC1CCNCC1.
What is the InChIKey of 4-[(3-methyltriazol-4-yl)oxymethyl]piperidine?
The InChIKey is IUVVHAJWYFWKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13-9(6-11-12-13)14-7-8-2-4-10-5-3-8/h6,8,10H,2-5,7H2,1H3.
What are the key properties of 4-[(3-methyltriazol-4-yl)oxymethyl]piperidine?
4-[(3-methyltriazol-4-yl)oxymethyl]piperidine has a molecular weight of 196.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyltriazol-4-yl)oxymethyl]piperidine is sourced from PubChem (CID 84667041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).