1-(4-benzylpiperidin-1-yl)-2-ethoxyethanone

C16H23NO2 — CID 2163066

IUPAC1-(4-benzylpiperidin-1-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-2-19-13-16(18)17-10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKeyJVUVLJLZZFTXSY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.50
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-ethoxyethanone

1-(4-benzylpiperidin-1-yl)-2-ethoxyethanone (PubChem CID 2163066) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-ethoxyethanone
PubChem CID2163066
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-2-19-13-16(18)17-10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKeyJVUVLJLZZFTXSY-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-ethoxyethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-ethoxyethanone (CID 2163066) is 1-(4-benzylpiperidin-1-yl)-2-ethoxyethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-ethoxyethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-ethoxyethanone is CCOCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-ethoxyethanone?
The InChIKey is JVUVLJLZZFTXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-19-13-16(18)17-10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-ethoxyethanone?
1-(4-benzylpiperidin-1-yl)-2-ethoxyethanone has a molecular weight of 261.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-ethoxyethanone is sourced from PubChem (CID 2163066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).