2-fluoro-4-(4-methoxypiperidin-1-yl)benzene-1,3-dicarbaldehyde

C14H16FNO3 — CID 151882228

IUPAC2-fluoro-4-(4-methoxypiperidin-1-yl)benzene-1,3-dicarbaldehyde
SMILESCOC1CCN(c2ccc(C=O)c(F)c2C=O)CC1
InChIInChI=1S/C14H16FNO3/c1-19-11-4-6-16(7-5-11)13-3-2-10(8-17)14(15)12(13)9-18/h2-3,8-9,11H,4-7H2,1H3
InChIKeySOYVATDSBJWQHY-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.07
Rot. Bonds4

About 2-fluoro-4-(4-methoxypiperidin-1-yl)benzene-1,3-dicarbaldehyde

2-fluoro-4-(4-methoxypiperidin-1-yl)benzene-1,3-dicarbaldehyde (PubChem CID 151882228) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-fluoro-4-(4-methoxypiperidin-1-yl)benzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(4-methoxypiperidin-1-yl)benzene-1,3-dicarbaldehyde
PubChem CID151882228
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-fluoro-4-(4-methoxypiperidin-1-yl)benzene-1,3-dicarbaldehyde
SMILESCOC1CCN(c2ccc(C=O)c(F)c2C=O)CC1
InChIInChI=1S/C14H16FNO3/c1-19-11-4-6-16(7-5-11)13-3-2-10(8-17)14(15)12(13)9-18/h2-3,8-9,11H,4-7H2,1H3
InChIKeySOYVATDSBJWQHY-UHFFFAOYSA-N
XLogP2.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.07
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 2-fluoro-4-(4-methoxypiperidin-1-yl)benzene-1,3-dicarbaldehyde?
The IUPAC name of 2-fluoro-4-(4-methoxypiperidin-1-yl)benzene-1,3-dicarbaldehyde (CID 151882228) is 2-fluoro-4-(4-methoxypiperidin-1-yl)benzene-1,3-dicarbaldehyde.
What is the SMILES notation for 2-fluoro-4-(4-methoxypiperidin-1-yl)benzene-1,3-dicarbaldehyde?
The canonical SMILES for 2-fluoro-4-(4-methoxypiperidin-1-yl)benzene-1,3-dicarbaldehyde is COC1CCN(c2ccc(C=O)c(F)c2C=O)CC1.
What is the InChIKey of 2-fluoro-4-(4-methoxypiperidin-1-yl)benzene-1,3-dicarbaldehyde?
The InChIKey is SOYVATDSBJWQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-19-11-4-6-16(7-5-11)13-3-2-10(8-17)14(15)12(13)9-18/h2-3,8-9,11H,4-7H2,1H3.
What are the key properties of 2-fluoro-4-(4-methoxypiperidin-1-yl)benzene-1,3-dicarbaldehyde?
2-fluoro-4-(4-methoxypiperidin-1-yl)benzene-1,3-dicarbaldehyde has a molecular weight of 265.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methoxypiperidin-1-yl)benzene-1,3-dicarbaldehyde is sourced from PubChem (CID 151882228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).