1-(3-methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone

C20H23NO2 — CID 4247104

IUPAC1-(3-methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone
SMILESCC1CCCN(C(=O)COc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C20H23NO2/c1-16-6-5-13-21(14-16)20(22)15-23-19-11-9-18(10-12-19)17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15H2,1H3
InChIKeyBZYMJLMCUAIOMI-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.99
Rot. Bonds4

About 1-(3-methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone

1-(3-methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone (PubChem CID 4247104) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone
PubChem CID4247104
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-(3-methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone
SMILESCC1CCCN(C(=O)COc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C20H23NO2/c1-16-6-5-13-21(14-16)20(22)15-23-19-11-9-18(10-12-19)17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15H2,1H3
InChIKeyBZYMJLMCUAIOMI-UHFFFAOYSA-N
XLogP3.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone (CID 4247104) is 1-(3-methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone is CC1CCCN(C(=O)COc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone?
The InChIKey is BZYMJLMCUAIOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-16-6-5-13-21(14-16)20(22)15-23-19-11-9-18(10-12-19)17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone?
1-(3-methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone has a molecular weight of 309.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-2-(4-phenylphenoxy)ethanone is sourced from PubChem (CID 4247104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).