methyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate

C15H19NO4 — CID 176886515

IUPACmethyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(Oc2ccc(C=O)cc2)CC1
InChIInChI=1S/C15H19NO4/c1-19-15(18)10-16-8-6-14(7-9-16)20-13-4-2-12(11-17)3-5-13/h2-5,11,14H,6-10H2,1H3
InChIKeyUJNKBKLWFWVTKH-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.52
Rot. Bonds5

About methyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate

methyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate (PubChem CID 176886515) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate
PubChem CID176886515
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(Oc2ccc(C=O)cc2)CC1
InChIInChI=1S/C15H19NO4/c1-19-15(18)10-16-8-6-14(7-9-16)20-13-4-2-12(11-17)3-5-13/h2-5,11,14H,6-10H2,1H3
InChIKeyUJNKBKLWFWVTKH-UHFFFAOYSA-N
XLogP1.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
CID 23087524
ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate
CID 18980164
4-cyclopropyloxybenzaldehyde
CID 71423039
4-cyclopentyloxybenzaldehyde
CID 3152724
N,N-dimethyl-2-[4-(4-methylphenoxy)piperidin-1-yl]acetamide
CID 167150972
tert-butyl (3S)-3-(4-formylphenoxy)pyrrolidine-1-carboxylate
CID 11779039
2-(4-phenoxypiperidin-1-yl)acetamide
CID 47395345
methyl 2-[4-(2-methoxyanilino)piperidin-1-yl]acetate
CID 71857529
methyl 2-(3-methoxypyrrolidin-1-yl)acetate
CID 103535132
methyl 2-(4-bromopiperidin-1-yl)acetate
CID 156858791
4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde
CID 71514720
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate (CID 176886515) is methyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate is COC(=O)CN1CCC(Oc2ccc(C=O)cc2)CC1.
What is the InChIKey of methyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate?
The InChIKey is UJNKBKLWFWVTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-15(18)10-16-8-6-14(7-9-16)20-13-4-2-12(11-17)3-5-13/h2-5,11,14H,6-10H2,1H3.
What are the key properties of methyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate?
methyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate has a molecular weight of 277.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-formylphenoxy)piperidin-1-yl]acetate is sourced from PubChem (CID 176886515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).