1-[(1-ethyltriazol-4-yl)methyl]-4-methoxypiperidine

C11H20N4O — CID 154684353

IUPAC1-[(1-ethyltriazol-4-yl)methyl]-4-methoxypiperidine
SMILESCCn1cc(CN2CCC(OC)CC2)nn1
InChIInChI=1S/C11H20N4O/c1-3-15-9-10(12-13-15)8-14-6-4-11(16-2)5-7-14/h9,11H,3-8H2,1-2H3
InChIKeyDLKJDWRJLBPHJT-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.91
Rot. Bonds4

About 1-[(1-ethyltriazol-4-yl)methyl]-4-methoxypiperidine

1-[(1-ethyltriazol-4-yl)methyl]-4-methoxypiperidine (PubChem CID 154684353) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[(1-ethyltriazol-4-yl)methyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[(1-ethyltriazol-4-yl)methyl]-4-methoxypiperidine
PubChem CID154684353
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[(1-ethyltriazol-4-yl)methyl]-4-methoxypiperidine
SMILESCCn1cc(CN2CCC(OC)CC2)nn1
InChIInChI=1S/C11H20N4O/c1-3-15-9-10(12-13-15)8-14-6-4-11(16-2)5-7-14/h9,11H,3-8H2,1-2H3
InChIKeyDLKJDWRJLBPHJT-UHFFFAOYSA-N
XLogP0.91
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyltriazol-4-yl)methyl]-4-methoxypiperidine?
The IUPAC name of 1-[(1-ethyltriazol-4-yl)methyl]-4-methoxypiperidine (CID 154684353) is 1-[(1-ethyltriazol-4-yl)methyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[(1-ethyltriazol-4-yl)methyl]-4-methoxypiperidine?
The canonical SMILES for 1-[(1-ethyltriazol-4-yl)methyl]-4-methoxypiperidine is CCn1cc(CN2CCC(OC)CC2)nn1.
What is the InChIKey of 1-[(1-ethyltriazol-4-yl)methyl]-4-methoxypiperidine?
The InChIKey is DLKJDWRJLBPHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-15-9-10(12-13-15)8-14-6-4-11(16-2)5-7-14/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-[(1-ethyltriazol-4-yl)methyl]-4-methoxypiperidine?
1-[(1-ethyltriazol-4-yl)methyl]-4-methoxypiperidine has a molecular weight of 224.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyltriazol-4-yl)methyl]-4-methoxypiperidine is sourced from PubChem (CID 154684353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).