(1-benzylpiperidin-4-yl) benzoate

C19H21NO2 — CID 15124790

IUPAC(1-benzylpiperidin-4-yl) benzoate
SMILESO=C(OC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H21NO2/c21-19(17-9-5-2-6-10-17)22-18-11-13-20(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2
InChIKeySBQQIGHODWKFKK-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.51
Rot. Bonds4

About (1-benzylpiperidin-4-yl) benzoate

(1-benzylpiperidin-4-yl) benzoate (PubChem CID 15124790) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl) benzoate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl) benzoate
PubChem CID15124790
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(1-benzylpiperidin-4-yl) benzoate
SMILESO=C(OC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H21NO2/c21-19(17-9-5-2-6-10-17)22-18-11-13-20(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2
InChIKeySBQQIGHODWKFKK-UHFFFAOYSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl) benzoate?
The IUPAC name of (1-benzylpiperidin-4-yl) benzoate (CID 15124790) is (1-benzylpiperidin-4-yl) benzoate.
What is the SMILES notation for (1-benzylpiperidin-4-yl) benzoate?
The canonical SMILES for (1-benzylpiperidin-4-yl) benzoate is O=C(OC1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (1-benzylpiperidin-4-yl) benzoate?
The InChIKey is SBQQIGHODWKFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(17-9-5-2-6-10-17)22-18-11-13-20(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2.
What are the key properties of (1-benzylpiperidin-4-yl) benzoate?
(1-benzylpiperidin-4-yl) benzoate has a molecular weight of 295.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl) benzoate is sourced from PubChem (CID 15124790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).