4-(methoxymethyl)piperazine-1-carbaldehyde

C7H14N2O2 — CID 89339450

IUPAC4-(methoxymethyl)piperazine-1-carbaldehyde
SMILESCOCN1CCN(C=O)CC1
InChIInChI=1S/C7H14N2O2/c1-11-7-9-4-2-8(6-10)3-5-9/h6H,2-5,7H2,1H3
InChIKeyVGWPERJUVHUGIS-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.64
Rot. Bonds3

About 4-(methoxymethyl)piperazine-1-carbaldehyde

4-(methoxymethyl)piperazine-1-carbaldehyde (PubChem CID 89339450) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(methoxymethyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(methoxymethyl)piperazine-1-carbaldehyde
PubChem CID89339450
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name4-(methoxymethyl)piperazine-1-carbaldehyde
SMILESCOCN1CCN(C=O)CC1
InChIInChI=1S/C7H14N2O2/c1-11-7-9-4-2-8(6-10)3-5-9/h6H,2-5,7H2,1H3
InChIKeyVGWPERJUVHUGIS-UHFFFAOYSA-N
XLogP-0.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(methoxymethyl)piperazine
CID 15759078
2-(4-formylpiperazin-1-yl)ethyl formate
CID 13468187
1-methoxypropane;piperidine-1-carbaldehyde
CID 142366612
4-(2-aminopropyl)piperazine-1-carbaldehyde
CID 21054639
4-butylpiperazine-1-carbaldehyde;ethane
CID 164877634
2-[4-(methoxymethyl)piperazin-1-yl]ethanamine
CID 176691327
4-[(4,6-dimethoxypyrimidin-2-yl)methyl]piperazine-1-carbaldehyde
CID 4620763
4-(3-aminopropyl)piperazine-1-carbaldehyde
CID 21054641
2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate
CID 143019040
3-(4-formylpiperazin-1-yl)-N-pentylpropanamide
CID 109017998
sodium;2-[4,10-bis(carboxymethyl)-7-formyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;hydride
CID 173163697
dimethyl sulfate;pyrrolidine-1-carbaldehyde
CID 88629483

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(methoxymethyl)piperazine-1-carbaldehyde (CID 89339450) is 4-(methoxymethyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(methoxymethyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(methoxymethyl)piperazine-1-carbaldehyde is COCN1CCN(C=O)CC1.
What is the InChIKey of 4-(methoxymethyl)piperazine-1-carbaldehyde?
The InChIKey is VGWPERJUVHUGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-11-7-9-4-2-8(6-10)3-5-9/h6H,2-5,7H2,1H3.
What are the key properties of 4-(methoxymethyl)piperazine-1-carbaldehyde?
4-(methoxymethyl)piperazine-1-carbaldehyde has a molecular weight of 158.20 g/mol, XLogP of -0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 89339450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).