[7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate

C16H21NO3 — CID 174256242

IUPAC[7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate
SMILESO=C(ON1CC2(CCC(CO)CC2)C1)c1ccccc1
InChIInChI=1S/C16H21NO3/c18-10-13-6-8-16(9-7-13)11-17(12-16)20-15(19)14-4-2-1-3-5-14/h1-5,13,18H,6-12H2
InChIKeyBCAQCKTXTUWIHE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.24
Rot. Bonds3

About [7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate

[7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate (PubChem CID 174256242) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate.

Molecular Properties

Compound Name[7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate
PubChem CID174256242
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate
SMILESO=C(ON1CC2(CCC(CO)CC2)C1)c1ccccc1
InChIInChI=1S/C16H21NO3/c18-10-13-6-8-16(9-7-13)11-17(12-16)20-15(19)14-4-2-1-3-5-14/h1-5,13,18H,6-12H2
InChIKeyBCAQCKTXTUWIHE-UHFFFAOYSA-N
XLogP2.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-hydroxyethyl)piperidin-1-yl] benzoate
CID 126581762
1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate
CID 126455167
(3,3,5,5-tetramethylpiperazin-1-yl) benzoate
CID 18629568
(3,3-dimethoxypyrrolidin-1-yl) benzoate
CID 163774543
tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate
CID 178145170
(4-ethenyl-4-hydroxypiperidin-1-yl) benzoate
CID 163590605
[4-(benzylsulfamoyl)piperidin-1-yl] benzoate
CID 147007138
[(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate
CID 163821924
(4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate
CID 139790013
[4-(hydroxymethyl)piperidin-1-yl] 2-benzylbenzoate
CID 174980143
[4-(3,5-dimethyl-1-adamantyl)piperazin-1-yl] benzoate
CID 174683721
(1,1-dioxo-1,4-thiazinan-4-yl) benzoate
CID 12708317

Frequently Asked Questions

What is the IUPAC name of [7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate?
The IUPAC name of [7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate (CID 174256242) is [7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate.
What is the SMILES notation for [7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate?
The canonical SMILES for [7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate is O=C(ON1CC2(CCC(CO)CC2)C1)c1ccccc1.
What is the InChIKey of [7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate?
The InChIKey is BCAQCKTXTUWIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-10-13-6-8-16(9-7-13)11-17(12-16)20-15(19)14-4-2-1-3-5-14/h1-5,13,18H,6-12H2.
What are the key properties of [7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate?
[7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate has a molecular weight of 275.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate is sourced from PubChem (CID 174256242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).