1-methylpiperazine;4-methylpiperazine-1-carbaldehyde

C11H24N4O — CID 174803758

IUPAC1-methylpiperazine;4-methylpiperazine-1-carbaldehyde
SMILESCN1CCN(C=O)CC1.CN1CCNCC1
InChIInChI=1S/C6H12N2O.C5H12N2/c1-7-2-4-8(6-9)5-3-7;1-7-4-2-6-3-5-7/h6H,2-5H2,1H3;6H,2-5H2,1H3
InChIKeyWVEKBISCPFMASQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP-1.09
Rot. Bonds1

About 1-methylpiperazine;4-methylpiperazine-1-carbaldehyde

1-methylpiperazine;4-methylpiperazine-1-carbaldehyde (PubChem CID 174803758) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-methylpiperazine;4-methylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name1-methylpiperazine;4-methylpiperazine-1-carbaldehyde
PubChem CID174803758
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1-methylpiperazine;4-methylpiperazine-1-carbaldehyde
SMILESCN1CCN(C=O)CC1.CN1CCNCC1
InChIInChI=1S/C6H12N2O.C5H12N2/c1-7-2-4-8(6-9)5-3-7;1-7-4-2-6-3-5-7/h6H,2-5H2,1H3;6H,2-5H2,1H3
InChIKeyWVEKBISCPFMASQ-UHFFFAOYSA-N
XLogP-1.09
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine;4-methylpiperazine-1-carbaldehyde?
The IUPAC name of 1-methylpiperazine;4-methylpiperazine-1-carbaldehyde (CID 174803758) is 1-methylpiperazine;4-methylpiperazine-1-carbaldehyde.
What is the SMILES notation for 1-methylpiperazine;4-methylpiperazine-1-carbaldehyde?
The canonical SMILES for 1-methylpiperazine;4-methylpiperazine-1-carbaldehyde is CN1CCN(C=O)CC1.CN1CCNCC1.
What is the InChIKey of 1-methylpiperazine;4-methylpiperazine-1-carbaldehyde?
The InChIKey is WVEKBISCPFMASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C5H12N2/c1-7-2-4-8(6-9)5-3-7;1-7-4-2-6-3-5-7/h6H,2-5H2,1H3;6H,2-5H2,1H3.
What are the key properties of 1-methylpiperazine;4-methylpiperazine-1-carbaldehyde?
1-methylpiperazine;4-methylpiperazine-1-carbaldehyde has a molecular weight of 228.34 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine;4-methylpiperazine-1-carbaldehyde is sourced from PubChem (CID 174803758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).