4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde

C14H26N2O2 — CID 55217181

IUPAC4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde
SMILESCCN1CCN(CC2(C=O)CCOCC2)CC1C
InChIInChI=1S/C14H26N2O2/c1-3-16-7-6-15(10-13(16)2)11-14(12-17)4-8-18-9-5-14/h12-13H,3-11H2,1-2H3
InChIKeyRSAPOAZEFZXVEW-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.01
Rot. Bonds4

About 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde

4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde (PubChem CID 55217181) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde
PubChem CID55217181
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde
SMILESCCN1CCN(CC2(C=O)CCOCC2)CC1C
InChIInChI=1S/C14H26N2O2/c1-3-16-7-6-15(10-13(16)2)11-14(12-17)4-8-18-9-5-14/h12-13H,3-11H2,1-2H3
InChIKeyRSAPOAZEFZXVEW-UHFFFAOYSA-N
XLogP1.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.01
H-Bond Donors ≤ 50
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 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde?
The IUPAC name of 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde (CID 55217181) is 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde.
What is the SMILES notation for 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde?
The canonical SMILES for 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde is CCN1CCN(CC2(C=O)CCOCC2)CC1C.
What is the InChIKey of 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde?
The InChIKey is RSAPOAZEFZXVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-16-7-6-15(10-13(16)2)11-14(12-17)4-8-18-9-5-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde?
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde has a molecular weight of 254.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxane-4-carbaldehyde is sourced from PubChem (CID 55217181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).