2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde

C12H19N3O — CID 83015464

IUPAC2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1N1CCN(C)CC1
InChIInChI=1S/C12H19N3O/c1-10-8-12(9-16)11(2)15(10)14-6-4-13(3)5-7-14/h8-9H,4-7H2,1-3H3
InChIKeyGEUAZAYPECUIQQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.80
Rot. Bonds2

About 2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde

2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde (PubChem CID 83015464) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde
PubChem CID83015464
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1N1CCN(C)CC1
InChIInChI=1S/C12H19N3O/c1-10-8-12(9-16)11(2)15(10)14-6-4-13(3)5-7-14/h8-9H,4-7H2,1-3H3
InChIKeyGEUAZAYPECUIQQ-UHFFFAOYSA-N
XLogP0.80
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 83015341
2,5-dimethyl-1-pentan-3-ylpyrrole-3-carbaldehyde
CID 23008366
2,5-dimethyl-1-(9-methylpurin-6-yl)pyrrole-3-carbaldehyde
CID 15643961
1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 1121681
2,5-dimethyl-1-(1-sulfanylethenyl)pyrrole-3-carbaldehyde
CID 167130466
1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 64910440
3-(3-formyl-2,5-dimethylpyrrol-1-yl)propanamide
CID 43553582
2-(3-formyl-2,5-dimethylpyrrol-1-yl)acetonitrile
CID 39869824
1-(2,6-dimethylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 880088
1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 974661
1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylpyrrole-3-carbaldehyde
CID 82289311
2,5-dimethyl-1-(3-methylpentan-2-yl)pyrrole-3-carbaldehyde
CID 61463725

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde?
The IUPAC name of 2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde (CID 83015464) is 2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde?
The canonical SMILES for 2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde is Cc1cc(C=O)c(C)n1N1CCN(C)CC1.
What is the InChIKey of 2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde?
The InChIKey is GEUAZAYPECUIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-8-12(9-16)11(2)15(10)14-6-4-13(3)5-7-14/h8-9H,4-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde?
2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde has a molecular weight of 221.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde is sourced from PubChem (CID 83015464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).