1-(2-phenoxyethyl)piperidin-4-one

C26H34N2O4 — CID 70278679

IUPAC1-(2-phenoxyethyl)piperidin-4-one
SMILESO=C1CCN(CCOc2ccccc2)CC1.O=C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/2C13H17NO2/c2*15-12-6-8-14(9-7-12)10-11-16-13-4-2-1-3-5-13/h2*1-5H,6-11H2
InChIKeyPDIRTHQVBFLMAD-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.46
Rot. Bonds8

About 1-(2-phenoxyethyl)piperidin-4-one

1-(2-phenoxyethyl)piperidin-4-one (PubChem CID 70278679) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-phenoxyethyl)piperidin-4-one
PubChem CID70278679
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name1-(2-phenoxyethyl)piperidin-4-one
SMILESO=C1CCN(CCOc2ccccc2)CC1.O=C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/2C13H17NO2/c2*15-12-6-8-14(9-7-12)10-11-16-13-4-2-1-3-5-13/h2*1-5H,6-11H2
InChIKeyPDIRTHQVBFLMAD-UHFFFAOYSA-N
XLogP3.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-phenoxyethyl)piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid
CID 22685674
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one
CID 19794408
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242
1-(2-naphthalen-1-yloxyethyl)piperidin-4-one
CID 39368285
1-[2-(2-phenylethoxy)ethyl]piperidin-4-one
CID 68828886
1-(2-benzhydryloxyethyl)piperidin-4-one
CID 10614853
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
4-benzyl-1-[2-(4-chlorophenoxy)ethyl]-1,4-diazepan-5-one
CID 24733010
4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
CID 119134542
1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
CID 78792856
1-(2-chloroethyl)-4-(2-phenoxyethyl)-1,4-diazepane
CID 63387533

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)piperidin-4-one?
The IUPAC name of 1-(2-phenoxyethyl)piperidin-4-one (CID 70278679) is 1-(2-phenoxyethyl)piperidin-4-one.
What is the SMILES notation for 1-(2-phenoxyethyl)piperidin-4-one?
The canonical SMILES for 1-(2-phenoxyethyl)piperidin-4-one is O=C1CCN(CCOc2ccccc2)CC1.O=C1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenoxyethyl)piperidin-4-one?
The InChIKey is PDIRTHQVBFLMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17NO2/c2*15-12-6-8-14(9-7-12)10-11-16-13-4-2-1-3-5-13/h2*1-5H,6-11H2.
What are the key properties of 1-(2-phenoxyethyl)piperidin-4-one?
1-(2-phenoxyethyl)piperidin-4-one has a molecular weight of 438.57 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)piperidin-4-one is sourced from PubChem (CID 70278679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).