4-(2,4-dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine

C11H21N3 — CID 135161873

IUPAC4-(2,4-dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine
SMILESCC1=CN(C)NC1C1CCN(C)CC1
InChIInChI=1S/C11H21N3/c1-9-8-14(3)12-11(9)10-4-6-13(2)7-5-10/h8,10-12H,4-7H2,1-3H3
InChIKeyWXIYTISXMLCFOI-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.05
Rot. Bonds1

About 4-(2,4-dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine

4-(2,4-dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine (PubChem CID 135161873) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine
PubChem CID135161873
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-(2,4-dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine
SMILESCC1=CN(C)NC1C1CCN(C)CC1
InChIInChI=1S/C11H21N3/c1-9-8-14(3)12-11(9)10-4-6-13(2)7-5-10/h8,10-12H,4-7H2,1-3H3
InChIKeyWXIYTISXMLCFOI-UHFFFAOYSA-N
XLogP1.05
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine?
The IUPAC name of 4-(2,4-dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine (CID 135161873) is 4-(2,4-dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(2,4-dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine?
The canonical SMILES for 4-(2,4-dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine is CC1=CN(C)NC1C1CCN(C)CC1.
What is the InChIKey of 4-(2,4-dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine?
The InChIKey is WXIYTISXMLCFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9-8-14(3)12-11(9)10-4-6-13(2)7-5-10/h8,10-12H,4-7H2,1-3H3.
What are the key properties of 4-(2,4-dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine?
4-(2,4-dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine has a molecular weight of 195.31 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,5-dihydropyrazol-5-yl)-1-methylpiperidine is sourced from PubChem (CID 135161873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).