3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine

C11H19N3 — CID 83531093

IUPAC3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine
SMILESCC1CN(CCc2cc[nH]c2)CCN1
InChIInChI=1S/C11H19N3/c1-10-9-14(7-5-13-10)6-3-11-2-4-12-8-11/h2,4,8,10,12-13H,3,5-7,9H2,1H3
InChIKeyKGLWEEZVWNNOCV-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.85
Rot. Bonds3

About 3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine

3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine (PubChem CID 83531093) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine
PubChem CID83531093
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine
SMILESCC1CN(CCc2cc[nH]c2)CCN1
InChIInChI=1S/C11H19N3/c1-10-9-14(7-5-13-10)6-3-11-2-4-12-8-11/h2,4,8,10,12-13H,3,5-7,9H2,1H3
InChIKeyKGLWEEZVWNNOCV-UHFFFAOYSA-N
XLogP0.85
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine?
The IUPAC name of 3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine (CID 83531093) is 3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine.
What is the SMILES notation for 3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine?
The canonical SMILES for 3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine is CC1CN(CCc2cc[nH]c2)CCN1.
What is the InChIKey of 3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine?
The InChIKey is KGLWEEZVWNNOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10-9-14(7-5-13-10)6-3-11-2-4-12-8-11/h2,4,8,10,12-13H,3,5-7,9H2,1H3.
What are the key properties of 3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine?
3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine has a molecular weight of 193.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine is sourced from PubChem (CID 83531093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).