4-(2,5-dimethylpyrrol-1-yl)piperidine

C11H18N2 — CID 22557716

IUPAC4-(2,5-dimethylpyrrol-1-yl)piperidine
SMILESCc1ccc(C)n1C1CCNCC1
InChIInChI=1S/C11H18N2/c1-9-3-4-10(2)13(9)11-5-7-12-8-6-11/h3-4,11-12H,5-8H2,1-2H3
InChIKeyLFUQYNQNHALJCO-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.03
Rot. Bonds1

About 4-(2,5-dimethylpyrrol-1-yl)piperidine

4-(2,5-dimethylpyrrol-1-yl)piperidine (PubChem CID 22557716) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)piperidine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)piperidine
PubChem CID22557716
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)piperidine
SMILESCc1ccc(C)n1C1CCNCC1
InChIInChI=1S/C11H18N2/c1-9-3-4-10(2)13(9)11-5-7-12-8-6-11/h3-4,11-12H,5-8H2,1-2H3
InChIKeyLFUQYNQNHALJCO-UHFFFAOYSA-N
XLogP2.03
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)piperidine?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)piperidine (CID 22557716) is 4-(2,5-dimethylpyrrol-1-yl)piperidine.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)piperidine?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)piperidine is Cc1ccc(C)n1C1CCNCC1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)piperidine?
The InChIKey is LFUQYNQNHALJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-3-4-10(2)13(9)11-5-7-12-8-6-11/h3-4,11-12H,5-8H2,1-2H3.
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)piperidine?
4-(2,5-dimethylpyrrol-1-yl)piperidine has a molecular weight of 178.28 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)piperidine is sourced from PubChem (CID 22557716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).