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

C16H23NO2 — CID 58514237

IUPAC1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCCOc1ccccc1C(=O)CCN1CCCCC1
InChIInChI=1S/C16H23NO2/c1-2-19-16-9-5-4-8-14(16)15(18)10-13-17-11-6-3-7-12-17/h4-5,8-9H,2-3,6-7,10-13H2,1H3
InChIKeyVBZGWHURWHFTDC-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.14
Rot. Bonds6

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

1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one (PubChem CID 58514237) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
PubChem CID58514237
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCCOc1ccccc1C(=O)CCN1CCCCC1
InChIInChI=1S/C16H23NO2/c1-2-19-16-9-5-4-8-14(16)15(18)10-13-17-11-6-3-7-12-17/h4-5,8-9H,2-3,6-7,10-13H2,1H3
InChIKeyVBZGWHURWHFTDC-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82051123
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 94274694
(2-ethoxyphenyl)-piperidin-1-ylmethanethione
CID 926138
1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064831
1-(3-chloro-4-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052865
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
3-(1,4-diazepan-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-one
CID 82136479
1-(2-ethoxyphenyl)-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405344
1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263185
3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one
CID 115345793

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one (CID 58514237) is 1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one is CCOc1ccccc1C(=O)CCN1CCCCC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is VBZGWHURWHFTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-19-16-9-5-4-8-14(16)15(18)10-13-17-11-6-3-7-12-17/h4-5,8-9H,2-3,6-7,10-13H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one?
1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 58514237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).