5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine

C12H21N3 — CID 106781800

IUPAC5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
SMILESCC1CCC(CCc2cnn(C)c2)NC1
InChIInChI=1S/C12H21N3/c1-10-3-5-12(13-7-10)6-4-11-8-14-15(2)9-11/h8-10,12-13H,3-7H2,1-2H3
InChIKeyCEAXEHJYKQHBAZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.74
Rot. Bonds3

About 5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine

5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine (PubChem CID 106781800) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
PubChem CID106781800
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
SMILESCC1CCC(CCc2cnn(C)c2)NC1
InChIInChI=1S/C12H21N3/c1-10-3-5-12(13-7-10)6-4-11-8-14-15(2)9-11/h8-10,12-13H,3-7H2,1-2H3
InChIKeyCEAXEHJYKQHBAZ-UHFFFAOYSA-N
XLogP1.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine
CID 103016292
1-methyl-4-propylpyrazole;propane
CID 155742221
3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
CID 115653177
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane
CID 103016702
2-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxylic acid
CID 103019561
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006291
3-tert-butyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane
CID 103016752
3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 103002222
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314
4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 103015270
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine?
The IUPAC name of 5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine (CID 106781800) is 5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine.
What is the SMILES notation for 5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine?
The canonical SMILES for 5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine is CC1CCC(CCc2cnn(C)c2)NC1.
What is the InChIKey of 5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine?
The InChIKey is CEAXEHJYKQHBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-3-5-12(13-7-10)6-4-11-8-14-15(2)9-11/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of 5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine?
5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine has a molecular weight of 207.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 106781800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).