3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine

C12H22N4 — CID 114286480

IUPAC3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine
SMILESCc1nnc(CC(C)C2CCCNC2)n1C
InChIInChI=1S/C12H22N4/c1-9(11-5-4-6-13-8-11)7-12-15-14-10(2)16(12)3/h9,11,13H,4-8H2,1-3H3
InChIKeyXPEBPLNYQLGAIV-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.30
Rot. Bonds3

About 3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine

3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine (PubChem CID 114286480) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine
PubChem CID114286480
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine
SMILESCc1nnc(CC(C)C2CCCNC2)n1C
InChIInChI=1S/C12H22N4/c1-9(11-5-4-6-13-8-11)7-12-15-14-10(2)16(12)3/h9,11,13H,4-8H2,1-3H3
InChIKeyXPEBPLNYQLGAIV-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole
CID 81050071
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
CID 103497377
3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81047095
3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81046287
1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749743
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine
CID 81044402
6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046290
3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114354287
2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046144
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226
1-(2-methyltetrazol-5-yl)-4-piperidin-3-ylpentan-2-one
CID 107062305
3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine
CID 81046967

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine?
The IUPAC name of 3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine (CID 114286480) is 3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine.
What is the SMILES notation for 3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine?
The canonical SMILES for 3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine is Cc1nnc(CC(C)C2CCCNC2)n1C.
What is the InChIKey of 3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine?
The InChIKey is XPEBPLNYQLGAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(11-5-4-6-13-8-11)7-12-15-14-10(2)16(12)3/h9,11,13H,4-8H2,1-3H3.
What are the key properties of 3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine?
3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine has a molecular weight of 222.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine is sourced from PubChem (CID 114286480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).