1-[(1-ethylpyrrol-2-yl)methyl]piperazine

C11H19N3 — CID 82505182

IUPAC1-[(1-ethylpyrrol-2-yl)methyl]piperazine
SMILESCCn1cccc1CN1CCNCC1
InChIInChI=1S/C11H19N3/c1-2-14-7-3-4-11(14)10-13-8-5-12-6-9-13/h3-4,7,12H,2,5-6,8-10H2,1H3
InChIKeyCZQNGVMZLYOXKD-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.91
Rot. Bonds3

About 1-[(1-ethylpyrrol-2-yl)methyl]piperazine

1-[(1-ethylpyrrol-2-yl)methyl]piperazine (PubChem CID 82505182) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[(1-ethylpyrrol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1-ethylpyrrol-2-yl)methyl]piperazine
PubChem CID82505182
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-[(1-ethylpyrrol-2-yl)methyl]piperazine
SMILESCCn1cccc1CN1CCNCC1
InChIInChI=1S/C11H19N3/c1-2-14-7-3-4-11(14)10-13-8-5-12-6-9-13/h3-4,7,12H,2,5-6,8-10H2,1H3
InChIKeyCZQNGVMZLYOXKD-UHFFFAOYSA-N
XLogP0.91
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(2,6-dichlorophenyl)methyl]piperazine
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1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine
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1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
CID 117185174
1-[(1-methylpyrrol-3-yl)methyl]piperazine
CID 82280746
1-[(5-ethylfuran-2-yl)methyl]piperazine
CID 62346737
1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine
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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrol-2-yl)methyl]piperazine?
The IUPAC name of 1-[(1-ethylpyrrol-2-yl)methyl]piperazine (CID 82505182) is 1-[(1-ethylpyrrol-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(1-ethylpyrrol-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(1-ethylpyrrol-2-yl)methyl]piperazine is CCn1cccc1CN1CCNCC1.
What is the InChIKey of 1-[(1-ethylpyrrol-2-yl)methyl]piperazine?
The InChIKey is CZQNGVMZLYOXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-14-7-3-4-11(14)10-13-8-5-12-6-9-13/h3-4,7,12H,2,5-6,8-10H2,1H3.
What are the key properties of 1-[(1-ethylpyrrol-2-yl)methyl]piperazine?
1-[(1-ethylpyrrol-2-yl)methyl]piperazine has a molecular weight of 193.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrol-2-yl)methyl]piperazine is sourced from PubChem (CID 82505182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).