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

C11H20N4 — CID 67734819

IUPAC1-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1ncnc1C1CCN(C)CC1
InChIInChI=1S/C11H20N4/c1-9(2)15-11(12-8-13-15)10-4-6-14(3)7-5-10/h8-10H,4-7H2,1-3H3
InChIKeyBOFLQTXKXFMAKP-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.67
Rot. Bonds2

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

1-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 67734819) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID67734819
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1ncnc1C1CCN(C)CC1
InChIInChI=1S/C11H20N4/c1-9(2)15-11(12-8-13-15)10-4-6-14(3)7-5-10/h8-10H,4-7H2,1-3H3
InChIKeyBOFLQTXKXFMAKP-UHFFFAOYSA-N
XLogP1.67
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 67734819) is 1-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CC(C)n1ncnc1C1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is BOFLQTXKXFMAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(2)15-11(12-8-13-15)10-4-6-14(3)7-5-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 208.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 67734819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).