1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one

C22H27NO2 — CID 5024671

IUPAC1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
SMILESCCOc1ccc(C(=O)C(Cc2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C22H27NO2/c1-2-25-20-13-11-19(12-14-20)22(24)21(23-15-7-4-8-16-23)17-18-9-5-3-6-10-18/h3,5-6,9-14,21H,2,4,7-8,15-17H2,1H3
InChIKeyAEGFSIMEYMWKAI-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.37
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one

1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one (PubChem CID 5024671) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
PubChem CID5024671
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
SMILESCCOc1ccc(C(=O)C(Cc2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C22H27NO2/c1-2-25-20-13-11-19(12-14-20)22(24)21(23-15-7-4-8-16-23)17-18-9-5-3-6-10-18/h3,5-6,9-14,21H,2,4,7-8,15-17H2,1H3
InChIKeyAEGFSIMEYMWKAI-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 2502673
1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 4317335
(2R)-1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ium-1-ylpropan-1-one
CID 2502517
4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 82352342
(2R)-2-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 7000195
(2R,4R)-2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-ethoxyphenyl)pentane-1,5-dione
CID 97292408
(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
CID 86310958
(2R)-2-(4-benzylpiperazin-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanoic acid
CID 7549548
(2S)-2-(4-benzylpiperazin-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanoic acid
CID 7549533
(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid
CID 27378597
3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid
CID 82091210
1-(4-hydroxyphenyl)-2-morpholin-4-yl-3-phenylpropan-1-one
CID 24843920

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one (CID 5024671) is 1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one is CCOc1ccc(C(=O)C(Cc2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one?
The InChIKey is AEGFSIMEYMWKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-2-25-20-13-11-19(12-14-20)22(24)21(23-15-7-4-8-16-23)17-18-9-5-3-6-10-18/h3,5-6,9-14,21H,2,4,7-8,15-17H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one?
1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one has a molecular weight of 337.46 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 5024671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).