4-(1-acetylpiperidin-4-yl)oxybenzaldehyde

C14H17NO3 — CID 23087524

IUPAC4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
SMILESCC(=O)N1CCC(Oc2ccc(C=O)cc2)CC1
InChIInChI=1S/C14H17NO3/c1-11(17)15-8-6-14(7-9-15)18-13-4-2-12(10-16)3-5-13/h2-5,10,14H,6-9H2,1H3
InChIKeyJLZLVCAILFACKW-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.89
Rot. Bonds3

About 4-(1-acetylpiperidin-4-yl)oxybenzaldehyde

4-(1-acetylpiperidin-4-yl)oxybenzaldehyde (PubChem CID 23087524) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)oxybenzaldehyde.

Molecular Properties

Compound Name4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
PubChem CID23087524
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
SMILESCC(=O)N1CCC(Oc2ccc(C=O)cc2)CC1
InChIInChI=1S/C14H17NO3/c1-11(17)15-8-6-14(7-9-15)18-13-4-2-12(10-16)3-5-13/h2-5,10,14H,6-9H2,1H3
InChIKeyJLZLVCAILFACKW-UHFFFAOYSA-N
XLogP1.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.89
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

ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate
CID 18980164
tert-butyl (3S)-3-(4-formylphenoxy)pyrrolidine-1-carboxylate
CID 11779039
4-cyclopropyloxybenzaldehyde
CID 71423039
4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde
CID 71514720
methyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate
CID 176886515
4-cyclopentyloxybenzaldehyde
CID 3152724
4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 24732829
tert-butyl 4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]piperidine-1-carboxylate
CID 142898406
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone
CID 66594601

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidin-4-yl)oxybenzaldehyde?
The IUPAC name of 4-(1-acetylpiperidin-4-yl)oxybenzaldehyde (CID 23087524) is 4-(1-acetylpiperidin-4-yl)oxybenzaldehyde.
What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)oxybenzaldehyde?
The canonical SMILES for 4-(1-acetylpiperidin-4-yl)oxybenzaldehyde is CC(=O)N1CCC(Oc2ccc(C=O)cc2)CC1.
What is the InChIKey of 4-(1-acetylpiperidin-4-yl)oxybenzaldehyde?
The InChIKey is JLZLVCAILFACKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-11(17)15-8-6-14(7-9-15)18-13-4-2-12(10-16)3-5-13/h2-5,10,14H,6-9H2,1H3.
What are the key properties of 4-(1-acetylpiperidin-4-yl)oxybenzaldehyde?
4-(1-acetylpiperidin-4-yl)oxybenzaldehyde has a molecular weight of 247.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidin-4-yl)oxybenzaldehyde is sourced from PubChem (CID 23087524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).