4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde

C12H24N4O — CID 82084529

IUPAC4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde
SMILESCN1CCN(CCN2CCN(C=O)CC2)CC1
InChIInChI=1S/C12H24N4O/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(12-17)11-9-15/h12H,2-11H2,1H3
InChIKeyBBDIGDDNHPJRDQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.99
Rot. Bonds4

About 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde

4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde (PubChem CID 82084529) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde
PubChem CID82084529
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde
SMILESCN1CCN(CCN2CCN(C=O)CC2)CC1
InChIInChI=1S/C12H24N4O/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(12-17)11-9-15/h12H,2-11H2,1H3
InChIKeyBBDIGDDNHPJRDQ-UHFFFAOYSA-N
XLogP-0.99
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.99
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

4-[2-(4-Formyl-2,6-dimethyl-piperazin-1-yl)ethyl]-3,5-dimethyl-piperazine-1-carbaldehyde
CID 251553
4-[2-(4-Formyl-2,5-dimethylpiperazin-1-yl)ethyl]-2,5-dimethylpiperazine-1-carbaldehyde
CID 247527
Bis(4-methylpiperazin-1-yl)methanone
CID 515613
4-[2-(Dimethylamino)ethyl]piperazine-1-carbaldehyde
CID 45115661
1-[4-[2-(4-Acetylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 85937025
1-(4'-Formyl-1-piperazinyl)-3,5-bis(dimethylamino)-s-triazine
CID 129659042
1,3-Bis(4-formyl-1-piperazinyl)propane
CID 18770385
N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]formamide
CID 57592553
(4-Ethylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 70672319
4-(4-Methylpiperazine-1-carbonyl)piperazine-1-carbaldehyde
CID 108988405
Bis(4-ethylpiperazin-1-yl)methanone
CID 108988471
Ethane;4-methylpiperazine-1-carbaldehyde
CID 142221917

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde (CID 82084529) is 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde is CN1CCN(CCN2CCN(C=O)CC2)CC1.
What is the InChIKey of 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde?
The InChIKey is BBDIGDDNHPJRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(12-17)11-9-15/h12H,2-11H2,1H3.
What are the key properties of 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde?
4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde has a molecular weight of 240.35 g/mol, XLogP of -0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 82084529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).