3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine

C12H20N2 — CID 114695724

IUPAC3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine
SMILESCc1ccc(C)n1C1CCCNC1C
InChIInChI=1S/C12H20N2/c1-9-6-7-10(2)14(9)12-5-4-8-13-11(12)3/h6-7,11-13H,4-5,8H2,1-3H3
InChIKeyBMWCYOQQNXGDFP-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.42
Rot. Bonds1

About 3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine

3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine (PubChem CID 114695724) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine
PubChem CID114695724
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine
SMILESCc1ccc(C)n1C1CCCNC1C
InChIInChI=1S/C12H20N2/c1-9-6-7-10(2)14(9)12-5-4-8-13-11(12)3/h6-7,11-13H,4-5,8H2,1-3H3
InChIKeyBMWCYOQQNXGDFP-UHFFFAOYSA-N
XLogP2.42
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine 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

3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 114695749
2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine
CID 114695777
(3R)-2,3-dimethylpiperidine
CID 118133422
2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine
CID 114695790
1-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 44827712
3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane
CID 164651866
3-tert-butyl-2-methylpiperidine
CID 91446438
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
N-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine
CID 79100377
(2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide
CID 79100245
4-methylaniline;2-methylpyrrolidine
CID 70528783
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine (CID 114695724) is 3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine is Cc1ccc(C)n1C1CCCNC1C.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine?
The InChIKey is BMWCYOQQNXGDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-6-7-10(2)14(9)12-5-4-8-13-11(12)3/h6-7,11-13H,4-5,8H2,1-3H3.
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine?
3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine has a molecular weight of 192.31 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine is sourced from PubChem (CID 114695724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).