2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine

C12H22N4 — CID 106780231

IUPAC2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCCCn1ncnc1CC1CCCC(C)N1
InChIInChI=1S/C12H22N4/c1-3-7-16-12(13-9-14-16)8-11-6-4-5-10(2)15-11/h9-11,15H,3-8H2,1-2H3
InChIKeyBZQUVIONZYCGCE-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.76
Rot. Bonds4

About 2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine

2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 106780231) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID106780231
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCCCn1ncnc1CC1CCCC(C)N1
InChIInChI=1S/C12H22N4/c1-3-7-16-12(13-9-14-16)8-11-6-4-5-10(2)15-11/h9-11,15H,3-8H2,1-2H3
InChIKeyBZQUVIONZYCGCE-UHFFFAOYSA-N
XLogP1.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
2-[(dimethyl-1H-1,2,4-triazol-1-yl)methyl]piperidine
CID 54592632
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
4-(3,5-Dimethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 44721353
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methyl(3-piperidinylmethyl)amine dihydrochloride
CID 70768653
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 79605567
4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83279224
4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284481

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 106780231) is 2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine is CCCn1ncnc1CC1CCCC(C)N1.
What is the InChIKey of 2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is BZQUVIONZYCGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-7-16-12(13-9-14-16)8-11-6-4-5-10(2)15-11/h9-11,15H,3-8H2,1-2H3.
What are the key properties of 2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 222.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 106780231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).