2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine

C12H22N4 — CID 106780031

IUPAC2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCC1CC(Cc2ncnn2C(C)C)CCN1
InChIInChI=1S/C12H22N4/c1-9(2)16-12(14-8-15-16)7-11-4-5-13-10(3)6-11/h8-11,13H,4-7H2,1-3H3
InChIKeyRVESGLQBVRCFLP-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.79
Rot. Bonds3

About 2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine

2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 106780031) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID106780031
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCC1CC(Cc2ncnn2C(C)C)CCN1
InChIInChI=1S/C12H22N4/c1-9(2)16-12(14-8-15-16)7-11-4-5-13-10(3)6-11/h8-11,13H,4-7H2,1-3H3
InChIKeyRVESGLQBVRCFLP-UHFFFAOYSA-N
XLogP1.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-one
CID 83261342
2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 106778140
4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 112563844
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanone
CID 116568448
3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106780034
N,N-dimethyl-4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidine-2-carboxamide
CID 106780057
2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 81009190
1-cyclobutyl-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 103168954
[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine
CID 81010403
N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 106632071
5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 112574857
1-cyclobutyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 103170087

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine (CID 106780031) is 2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine is CC1CC(Cc2ncnn2C(C)C)CCN1.
What is the InChIKey of 2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is RVESGLQBVRCFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)16-12(14-8-15-16)7-11-4-5-13-10(3)6-11/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine?
2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 222.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 106780031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).