4-(4-methyl-3H-pyrrol-2-yl)piperidine

C10H16N2 — CID 138631950

IUPAC4-(4-methyl-3H-pyrrol-2-yl)piperidine
SMILESCC1=CN=C(C2CCNCC2)C1
InChIInChI=1S/C10H16N2/c1-8-6-10(12-7-8)9-2-4-11-5-3-9/h7,9,11H,2-6H2,1H3
InChIKeyDBQOMNXEPHLUFI-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.73
Rot. Bonds1

About 4-(4-methyl-3H-pyrrol-2-yl)piperidine

4-(4-methyl-3H-pyrrol-2-yl)piperidine (PubChem CID 138631950) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(4-methyl-3H-pyrrol-2-yl)piperidine.

Molecular Properties

Compound Name4-(4-methyl-3H-pyrrol-2-yl)piperidine
PubChem CID138631950
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-(4-methyl-3H-pyrrol-2-yl)piperidine
SMILESCC1=CN=C(C2CCNCC2)C1
InChIInChI=1S/C10H16N2/c1-8-6-10(12-7-8)9-2-4-11-5-3-9/h7,9,11H,2-6H2,1H3
InChIKeyDBQOMNXEPHLUFI-UHFFFAOYSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-methyl-3H-pyrrol-2-yl)piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3H-pyrrol-2-yl)piperidine?
The IUPAC name of 4-(4-methyl-3H-pyrrol-2-yl)piperidine (CID 138631950) is 4-(4-methyl-3H-pyrrol-2-yl)piperidine.
What is the SMILES notation for 4-(4-methyl-3H-pyrrol-2-yl)piperidine?
The canonical SMILES for 4-(4-methyl-3H-pyrrol-2-yl)piperidine is CC1=CN=C(C2CCNCC2)C1.
What is the InChIKey of 4-(4-methyl-3H-pyrrol-2-yl)piperidine?
The InChIKey is DBQOMNXEPHLUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-6-10(12-7-8)9-2-4-11-5-3-9/h7,9,11H,2-6H2,1H3.
What are the key properties of 4-(4-methyl-3H-pyrrol-2-yl)piperidine?
4-(4-methyl-3H-pyrrol-2-yl)piperidine has a molecular weight of 164.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3H-pyrrol-2-yl)piperidine is sourced from PubChem (CID 138631950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).