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

C11H20N4 — CID 107054467

IUPAC4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine
SMILESCCC1CCNC(Cc2cn(C)nn2)C1
InChIInChI=1S/C11H20N4/c1-3-9-4-5-12-10(6-9)7-11-8-15(2)14-13-11/h8-10,12H,3-7H2,1-2H3
InChIKeyOFZCTDKUVNGZOZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.14
Rot. Bonds3

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

4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine (PubChem CID 107054467) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine
PubChem CID107054467
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine
SMILESCCC1CCNC(Cc2cn(C)nn2)C1
InChIInChI=1S/C11H20N4/c1-3-9-4-5-12-10(6-9)7-11-8-15(2)14-13-11/h8-10,12H,3-7H2,1-2H3
InChIKeyOFZCTDKUVNGZOZ-UHFFFAOYSA-N
XLogP1.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107058992
3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine
CID 107054729
N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine
CID 107054887
2-[(1-ethyltriazol-4-yl)methyl]piperidine
CID 115020003
1-(4-ethylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049489
3-tert-butyl-7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056275
5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055600
3-[(1-methyltriazol-4-yl)methoxy]cyclobutan-1-amine
CID 107044452
2-methyl-3-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-ol
CID 107055028
ethane;4-ethyl-1-methyltriazole
CID 143593274
4-[(1-methyltriazol-4-yl)methoxy]cyclohexan-1-amine
CID 107041689
2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one
CID 107044513

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine?
The IUPAC name of 4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine (CID 107054467) is 4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine.
What is the SMILES notation for 4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine?
The canonical SMILES for 4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine is CCC1CCNC(Cc2cn(C)nn2)C1.
What is the InChIKey of 4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine?
The InChIKey is OFZCTDKUVNGZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-9-4-5-12-10(6-9)7-11-8-15(2)14-13-11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine?
4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine has a molecular weight of 208.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine is sourced from PubChem (CID 107054467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).