(1-benzylpiperidin-4-yl) butanoate

C16H23NO2 — CID 175065089

IUPAC(1-benzylpiperidin-4-yl) butanoate
SMILESCCCC(=O)OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-2-6-16(18)19-15-9-11-17(12-10-15)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyZAFHXMZIBZJABD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.99
Rot. Bonds5

About (1-benzylpiperidin-4-yl) butanoate

(1-benzylpiperidin-4-yl) butanoate (PubChem CID 175065089) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl) butanoate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl) butanoate
PubChem CID175065089
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(1-benzylpiperidin-4-yl) butanoate
SMILESCCCC(=O)OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-2-6-16(18)19-15-9-11-17(12-10-15)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyZAFHXMZIBZJABD-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.99
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) butanoate?
The IUPAC name of (1-benzylpiperidin-4-yl) butanoate (CID 175065089) is (1-benzylpiperidin-4-yl) butanoate.
What is the SMILES notation for (1-benzylpiperidin-4-yl) butanoate?
The canonical SMILES for (1-benzylpiperidin-4-yl) butanoate is CCCC(=O)OC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylpiperidin-4-yl) butanoate?
The InChIKey is ZAFHXMZIBZJABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-6-16(18)19-15-9-11-17(12-10-15)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3.
What are the key properties of (1-benzylpiperidin-4-yl) butanoate?
(1-benzylpiperidin-4-yl) butanoate has a molecular weight of 261.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl) butanoate is sourced from PubChem (CID 175065089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).