1-ethyl-4-(1-methyl-2,3-dihydropyrrol-3-yl)piperazine

C11H21N3 — CID 156795043

IUPAC1-ethyl-4-(1-methyl-2,3-dihydropyrrol-3-yl)piperazine
SMILESCCN1CCN(C2C=CN(C)C2)CC1
InChIInChI=1S/C11H21N3/c1-3-13-6-8-14(9-7-13)11-4-5-12(2)10-11/h4-5,11H,3,6-10H2,1-2H3
InChIKeyPAHXFINLPPDUSA-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.45
Rot. Bonds2

About 1-ethyl-4-(1-methyl-2,3-dihydropyrrol-3-yl)piperazine

1-ethyl-4-(1-methyl-2,3-dihydropyrrol-3-yl)piperazine (PubChem CID 156795043) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-ethyl-4-(1-methyl-2,3-dihydropyrrol-3-yl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(1-methyl-2,3-dihydropyrrol-3-yl)piperazine
PubChem CID156795043
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-ethyl-4-(1-methyl-2,3-dihydropyrrol-3-yl)piperazine
SMILESCCN1CCN(C2C=CN(C)C2)CC1
InChIInChI=1S/C11H21N3/c1-3-13-6-8-14(9-7-13)11-4-5-12(2)10-11/h4-5,11H,3,6-10H2,1-2H3
InChIKeyPAHXFINLPPDUSA-UHFFFAOYSA-N
XLogP0.45
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1-methyl-2,3-dihydropyrrol-3-yl)piperazine?
The IUPAC name of 1-ethyl-4-(1-methyl-2,3-dihydropyrrol-3-yl)piperazine (CID 156795043) is 1-ethyl-4-(1-methyl-2,3-dihydropyrrol-3-yl)piperazine.
What is the SMILES notation for 1-ethyl-4-(1-methyl-2,3-dihydropyrrol-3-yl)piperazine?
The canonical SMILES for 1-ethyl-4-(1-methyl-2,3-dihydropyrrol-3-yl)piperazine is CCN1CCN(C2C=CN(C)C2)CC1.
What is the InChIKey of 1-ethyl-4-(1-methyl-2,3-dihydropyrrol-3-yl)piperazine?
The InChIKey is PAHXFINLPPDUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-13-6-8-14(9-7-13)11-4-5-12(2)10-11/h4-5,11H,3,6-10H2,1-2H3.
What are the key properties of 1-ethyl-4-(1-methyl-2,3-dihydropyrrol-3-yl)piperazine?
1-ethyl-4-(1-methyl-2,3-dihydropyrrol-3-yl)piperazine has a molecular weight of 195.31 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1-methyl-2,3-dihydropyrrol-3-yl)piperazine is sourced from PubChem (CID 156795043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).