1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine

C11H21N3 — CID 131010612

IUPAC1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine
SMILESCC1CN(CCN2CC=CC2)CCN1
InChIInChI=1S/C11H21N3/c1-11-10-14(7-4-12-11)9-8-13-5-2-3-6-13/h2-3,11-12H,4-10H2,1H3
InChIKeyZMDJMYIYOKZYDN-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.15
Rot. Bonds3

About 1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine

1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine (PubChem CID 131010612) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine
PubChem CID131010612
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine
SMILESCC1CN(CCN2CC=CC2)CCN1
InChIInChI=1S/C11H21N3/c1-11-10-14(7-4-12-11)9-8-13-5-2-3-6-13/h2-3,11-12H,4-10H2,1H3
InChIKeyZMDJMYIYOKZYDN-UHFFFAOYSA-N
XLogP0.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine?
The IUPAC name of 1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine (CID 131010612) is 1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine.
What is the SMILES notation for 1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine?
The canonical SMILES for 1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine is CC1CN(CCN2CC=CC2)CCN1.
What is the InChIKey of 1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine?
The InChIKey is ZMDJMYIYOKZYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11-10-14(7-4-12-11)9-8-13-5-2-3-6-13/h2-3,11-12H,4-10H2,1H3.
What are the key properties of 1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine?
1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine has a molecular weight of 195.31 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine is sourced from PubChem (CID 131010612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).