spiro[piperidine-4,9'-xanthene]-4'-yl acetate

C19H19NO3 — CID 70579384

IUPACspiro[piperidine-4,9'-xanthene]-4'-yl acetate
SMILESCC(=O)Oc1cccc2c1Oc1ccccc1C21CCNCC1
InChIInChI=1S/C19H19NO3/c1-13(21)22-17-8-4-6-15-18(17)23-16-7-3-2-5-14(16)19(15)9-11-20-12-10-19/h2-8,20H,9-12H2,1H3
InChIKeyAZPQTSVXAQHDRY-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.39
Rot. Bonds1

About spiro[piperidine-4,9'-xanthene]-4'-yl acetate

spiro[piperidine-4,9'-xanthene]-4'-yl acetate (PubChem CID 70579384) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is spiro[piperidine-4,9'-xanthene]-4'-yl acetate.

Molecular Properties

Compound Namespiro[piperidine-4,9'-xanthene]-4'-yl acetate
PubChem CID70579384
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namespiro[piperidine-4,9'-xanthene]-4'-yl acetate
SMILESCC(=O)Oc1cccc2c1Oc1ccccc1C21CCNCC1
InChIInChI=1S/C19H19NO3/c1-13(21)22-17-8-4-6-15-18(17)23-16-7-3-2-5-14(16)19(15)9-11-20-12-10-19/h2-8,20H,9-12H2,1H3
InChIKeyAZPQTSVXAQHDRY-UHFFFAOYSA-N
XLogP3.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

spiro[pyrrolidine-3,9'-xanthene]
CID 10444168
(2,2-dimethyl-1,3-benzodioxol-4-yl) acetate
CID 91551144
1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride
CID 70578492
(4-phenylpiperidin-4-yl) 3-acetyloxy-2-methylbenzoate
CID 167315206
7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one
CID 117126986
2H-chromen-5-yl acetate
CID 13170301
[2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate
CID 599748
spiro[cyclohexane-1,9'-xanthene]
CID 12861604
[9-(9H-xanthen-9-yl)-9H-xanthen-1-yl] acetate
CID 23016604
(2-acetyloxyphenyl) 2-piperazin-1-ylacetate
CID 18423251
dibenzo-p-dioxin-1-yl prop-2-enoate
CID 23056269
4-(2-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 82290945

Frequently Asked Questions

What is the IUPAC name of spiro[piperidine-4,9'-xanthene]-4'-yl acetate?
The IUPAC name of spiro[piperidine-4,9'-xanthene]-4'-yl acetate (CID 70579384) is spiro[piperidine-4,9'-xanthene]-4'-yl acetate.
What is the SMILES notation for spiro[piperidine-4,9'-xanthene]-4'-yl acetate?
The canonical SMILES for spiro[piperidine-4,9'-xanthene]-4'-yl acetate is CC(=O)Oc1cccc2c1Oc1ccccc1C21CCNCC1.
What is the InChIKey of spiro[piperidine-4,9'-xanthene]-4'-yl acetate?
The InChIKey is AZPQTSVXAQHDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13(21)22-17-8-4-6-15-18(17)23-16-7-3-2-5-14(16)19(15)9-11-20-12-10-19/h2-8,20H,9-12H2,1H3.
What are the key properties of spiro[piperidine-4,9'-xanthene]-4'-yl acetate?
spiro[piperidine-4,9'-xanthene]-4'-yl acetate has a molecular weight of 309.37 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[piperidine-4,9'-xanthene]-4'-yl acetate is sourced from PubChem (CID 70579384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).