(1-cyclobutylpiperidin-4-yl) benzoate

C16H21NO2 — CID 174573868

IUPAC(1-cyclobutylpiperidin-4-yl) benzoate
SMILESO=C(OC1CCN(C2CCC2)CC1)c1ccccc1
InChIInChI=1S/C16H21NO2/c18-16(13-5-2-1-3-6-13)19-15-9-11-17(12-10-15)14-7-4-8-14/h1-3,5-6,14-15H,4,7-12H2
InChIKeyWFCITUKDXVIKDO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.86
Rot. Bonds3

About (1-cyclobutylpiperidin-4-yl) benzoate

(1-cyclobutylpiperidin-4-yl) benzoate (PubChem CID 174573868) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (1-cyclobutylpiperidin-4-yl) benzoate.

Molecular Properties

Compound Name(1-cyclobutylpiperidin-4-yl) benzoate
PubChem CID174573868
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(1-cyclobutylpiperidin-4-yl) benzoate
SMILESO=C(OC1CCN(C2CCC2)CC1)c1ccccc1
InChIInChI=1S/C16H21NO2/c18-16(13-5-2-1-3-6-13)19-15-9-11-17(12-10-15)14-7-4-8-14/h1-3,5-6,14-15H,4,7-12H2
InChIKeyWFCITUKDXVIKDO-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-cyclobutylpiperidin-4-yl) benzoate?
The IUPAC name of (1-cyclobutylpiperidin-4-yl) benzoate (CID 174573868) is (1-cyclobutylpiperidin-4-yl) benzoate.
What is the SMILES notation for (1-cyclobutylpiperidin-4-yl) benzoate?
The canonical SMILES for (1-cyclobutylpiperidin-4-yl) benzoate is O=C(OC1CCN(C2CCC2)CC1)c1ccccc1.
What is the InChIKey of (1-cyclobutylpiperidin-4-yl) benzoate?
The InChIKey is WFCITUKDXVIKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(13-5-2-1-3-6-13)19-15-9-11-17(12-10-15)14-7-4-8-14/h1-3,5-6,14-15H,4,7-12H2.
What are the key properties of (1-cyclobutylpiperidin-4-yl) benzoate?
(1-cyclobutylpiperidin-4-yl) benzoate has a molecular weight of 259.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutylpiperidin-4-yl) benzoate is sourced from PubChem (CID 174573868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).