2-methyl-4-(1-methylpyrazol-3-yl)piperidine

C10H17N3 — CID 106781759

IUPAC2-methyl-4-(1-methylpyrazol-3-yl)piperidine
SMILESCC1CC(c2ccn(C)n2)CCN1
InChIInChI=1S/C10H17N3/c1-8-7-9(3-5-11-8)10-4-6-13(2)12-10/h4,6,8-9,11H,3,5,7H2,1-2H3
InChIKeyIGQRWGVINFXMAB-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.28
Rot. Bonds1

About 2-methyl-4-(1-methylpyrazol-3-yl)piperidine

2-methyl-4-(1-methylpyrazol-3-yl)piperidine (PubChem CID 106781759) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-methyl-4-(1-methylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name2-methyl-4-(1-methylpyrazol-3-yl)piperidine
PubChem CID106781759
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-methyl-4-(1-methylpyrazol-3-yl)piperidine
SMILESCC1CC(c2ccn(C)n2)CCN1
InChIInChI=1S/C10H17N3/c1-8-7-9(3-5-11-8)10-4-6-13(2)12-10/h4,6,8-9,11H,3,5,7H2,1-2H3
InChIKeyIGQRWGVINFXMAB-UHFFFAOYSA-N
XLogP1.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylpyrazol-3-yl)piperidine?
The IUPAC name of 2-methyl-4-(1-methylpyrazol-3-yl)piperidine (CID 106781759) is 2-methyl-4-(1-methylpyrazol-3-yl)piperidine.
What is the SMILES notation for 2-methyl-4-(1-methylpyrazol-3-yl)piperidine?
The canonical SMILES for 2-methyl-4-(1-methylpyrazol-3-yl)piperidine is CC1CC(c2ccn(C)n2)CCN1.
What is the InChIKey of 2-methyl-4-(1-methylpyrazol-3-yl)piperidine?
The InChIKey is IGQRWGVINFXMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-7-9(3-5-11-8)10-4-6-13(2)12-10/h4,6,8-9,11H,3,5,7H2,1-2H3.
What are the key properties of 2-methyl-4-(1-methylpyrazol-3-yl)piperidine?
2-methyl-4-(1-methylpyrazol-3-yl)piperidine has a molecular weight of 179.27 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylpyrazol-3-yl)piperidine is sourced from PubChem (CID 106781759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).