ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate

C15H19NO4 — CID 18980164

IUPACethyl 4-(4-formylphenoxy)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2ccc(C=O)cc2)CC1
InChIInChI=1S/C15H19NO4/c1-2-19-15(18)16-9-7-14(8-10-16)20-13-5-3-12(11-17)4-6-13/h3-6,11,14H,2,7-10H2,1H3
InChIKeyKUPUKMVIXOQSJU-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.50
Rot. Bonds4

About ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate

ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate (PubChem CID 18980164) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-formylphenoxy)piperidine-1-carboxylate
PubChem CID18980164
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 4-(4-formylphenoxy)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2ccc(C=O)cc2)CC1
InChIInChI=1S/C15H19NO4/c1-2-19-15(18)16-9-7-14(8-10-16)20-13-5-3-12(11-17)4-6-13/h3-6,11,14H,2,7-10H2,1H3
InChIKeyKUPUKMVIXOQSJU-UHFFFAOYSA-N
XLogP2.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate
CID 84608470
4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
CID 23087524
4-cyclopropyloxybenzaldehyde
CID 71423039
tert-butyl (3S)-3-(4-formylphenoxy)pyrrolidine-1-carboxylate
CID 11779039
butyl 4-(4-bromophenoxy)piperidine-1-carboxylate
CID 151208440
4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde
CID 71514720
methyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate
CID 176886515
ethyl 4-methylsulfonyloxypiperidine-1-carboxylate;ethyl 4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carboxylate
CID 87554936
tert-butyl 4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]piperidine-1-carboxylate
CID 142898406
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335
ethyl 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenoxy]piperidine-1-carboxylate
CID 86298856
ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate
CID 162773529

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate (CID 18980164) is ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate is CCOC(=O)N1CCC(Oc2ccc(C=O)cc2)CC1.
What is the InChIKey of ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate?
The InChIKey is KUPUKMVIXOQSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-19-15(18)16-9-7-14(8-10-16)20-13-5-3-12(11-17)4-6-13/h3-6,11,14H,2,7-10H2,1H3.
What are the key properties of ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate?
ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate is sourced from PubChem (CID 18980164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).