[3-(3-piperidin-3-ylpropoxy)phenyl] acetate

C16H23NO3 — CID 67740923

IUPAC[3-(3-piperidin-3-ylpropoxy)phenyl] acetate
SMILESCC(=O)Oc1cccc(OCCCC2CCCNC2)c1
InChIInChI=1S/C16H23NO3/c1-13(18)20-16-8-2-7-15(11-16)19-10-4-6-14-5-3-9-17-12-14/h2,7-8,11,14,17H,3-6,9-10,12H2,1H3
InChIKeyUUPRFSKIQDKHQC-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.77
Rot. Bonds6

About [3-(3-piperidin-3-ylpropoxy)phenyl] acetate

[3-(3-piperidin-3-ylpropoxy)phenyl] acetate (PubChem CID 67740923) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [3-(3-piperidin-3-ylpropoxy)phenyl] acetate.

Molecular Properties

Compound Name[3-(3-piperidin-3-ylpropoxy)phenyl] acetate
PubChem CID67740923
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[3-(3-piperidin-3-ylpropoxy)phenyl] acetate
SMILESCC(=O)Oc1cccc(OCCCC2CCCNC2)c1
InChIInChI=1S/C16H23NO3/c1-13(18)20-16-8-2-7-15(11-16)19-10-4-6-14-5-3-9-17-12-14/h2,7-8,11,14,17H,3-6,9-10,12H2,1H3
InChIKeyUUPRFSKIQDKHQC-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
CID 86321619
(3,4-diaminophenyl)-[3-(3-piperidin-3-ylpropoxy)phenyl]methanone
CID 54434751
(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine
CID 86321202
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 86321208
N-[3-(2-methoxyethoxy)phenyl]-2-piperidin-3-ylacetamide
CID 62675255
3-[2-[3-(methoxymethyl)phenoxy]ethyl]piperidine
CID 63986374
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
CID 119461960
N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide
CID 69489101
(4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone
CID 69490917
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822

Frequently Asked Questions

What is the IUPAC name of [3-(3-piperidin-3-ylpropoxy)phenyl] acetate?
The IUPAC name of [3-(3-piperidin-3-ylpropoxy)phenyl] acetate (CID 67740923) is [3-(3-piperidin-3-ylpropoxy)phenyl] acetate.
What is the SMILES notation for [3-(3-piperidin-3-ylpropoxy)phenyl] acetate?
The canonical SMILES for [3-(3-piperidin-3-ylpropoxy)phenyl] acetate is CC(=O)Oc1cccc(OCCCC2CCCNC2)c1.
What is the InChIKey of [3-(3-piperidin-3-ylpropoxy)phenyl] acetate?
The InChIKey is UUPRFSKIQDKHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13(18)20-16-8-2-7-15(11-16)19-10-4-6-14-5-3-9-17-12-14/h2,7-8,11,14,17H,3-6,9-10,12H2,1H3.
What are the key properties of [3-(3-piperidin-3-ylpropoxy)phenyl] acetate?
[3-(3-piperidin-3-ylpropoxy)phenyl] acetate has a molecular weight of 277.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-piperidin-3-ylpropoxy)phenyl] acetate is sourced from PubChem (CID 67740923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).