3-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)piperidine

C12H22N4 — CID 63135588

IUPAC3-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)c1nc(C2(C)CCCNC2)n(C)n1
InChIInChI=1S/C12H22N4/c1-9(2)10-14-11(16(4)15-10)12(3)6-5-7-13-8-12/h9,13H,5-8H2,1-4H3
InChIKeyDJLZJHCCBDWTRU-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.58
Rot. Bonds2

About 3-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)piperidine

3-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 63135588) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name3-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID63135588
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)c1nc(C2(C)CCCNC2)n(C)n1
InChIInChI=1S/C12H22N4/c1-9(2)10-14-11(16(4)15-10)12(3)6-5-7-13-8-12/h9,13H,5-8H2,1-4H3
InChIKeyDJLZJHCCBDWTRU-UHFFFAOYSA-N
XLogP1.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 3-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 63135588) is 3-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 3-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 3-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CC(C)c1nc(C2(C)CCCNC2)n(C)n1.
What is the InChIKey of 3-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is DJLZJHCCBDWTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)10-14-11(16(4)15-10)12(3)6-5-7-13-8-12/h9,13H,5-8H2,1-4H3.
What are the key properties of 3-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
3-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 222.34 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 63135588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).