1-methyl-3-(1-methylpyrrol-3-yl)piperazine

C10H17N3 — CID 82280749

IUPAC1-methyl-3-(1-methylpyrrol-3-yl)piperazine
SMILESCN1CCNC(c2ccn(C)c2)C1
InChIInChI=1S/C10H17N3/c1-12-5-3-9(7-12)10-8-13(2)6-4-11-10/h3,5,7,10-11H,4,6,8H2,1-2H3
InChIKeyOXPVNGPCLKGKAL-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.60
Rot. Bonds1

About 1-methyl-3-(1-methylpyrrol-3-yl)piperazine

1-methyl-3-(1-methylpyrrol-3-yl)piperazine (PubChem CID 82280749) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-methyl-3-(1-methylpyrrol-3-yl)piperazine.

Molecular Properties

Compound Name1-methyl-3-(1-methylpyrrol-3-yl)piperazine
PubChem CID82280749
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-methyl-3-(1-methylpyrrol-3-yl)piperazine
SMILESCN1CCNC(c2ccn(C)c2)C1
InChIInChI=1S/C10H17N3/c1-12-5-3-9(7-12)10-8-13(2)6-4-11-10/h3,5,7,10-11H,4,6,8H2,1-2H3
InChIKeyOXPVNGPCLKGKAL-UHFFFAOYSA-N
XLogP0.60
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylpyrrol-3-yl)piperazine?
The IUPAC name of 1-methyl-3-(1-methylpyrrol-3-yl)piperazine (CID 82280749) is 1-methyl-3-(1-methylpyrrol-3-yl)piperazine.
What is the SMILES notation for 1-methyl-3-(1-methylpyrrol-3-yl)piperazine?
The canonical SMILES for 1-methyl-3-(1-methylpyrrol-3-yl)piperazine is CN1CCNC(c2ccn(C)c2)C1.
What is the InChIKey of 1-methyl-3-(1-methylpyrrol-3-yl)piperazine?
The InChIKey is OXPVNGPCLKGKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-12-5-3-9(7-12)10-8-13(2)6-4-11-10/h3,5,7,10-11H,4,6,8H2,1-2H3.
What are the key properties of 1-methyl-3-(1-methylpyrrol-3-yl)piperazine?
1-methyl-3-(1-methylpyrrol-3-yl)piperazine has a molecular weight of 179.27 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylpyrrol-3-yl)piperazine is sourced from PubChem (CID 82280749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).