1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone

C17H25NO3 — CID 82050354

IUPAC1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone
SMILESCCOc1ccc(C(=O)CN2CCCCC2)cc1OCC
InChIInChI=1S/C17H25NO3/c1-3-20-16-9-8-14(12-17(16)21-4-2)15(19)13-18-10-6-5-7-11-18/h8-9,12H,3-7,10-11,13H2,1-2H3
InChIKeyZYULEPIZRBDDSI-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.15
Rot. Bonds7

About 1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone

1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone (PubChem CID 82050354) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone
PubChem CID82050354
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone
SMILESCCOc1ccc(C(=O)CN2CCCCC2)cc1OCC
InChIInChI=1S/C17H25NO3/c1-3-20-16-9-8-14(12-17(16)21-4-2)15(19)13-18-10-6-5-7-11-18/h8-9,12H,3-7,10-11,13H2,1-2H3
InChIKeyZYULEPIZRBDDSI-UHFFFAOYSA-N
XLogP3.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 82054227
1-(5-bromo-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051148
1-(5-chloro-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051125
1-(3-chloro-4-propoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82052906
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-(5-bromo-2-ethoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82051150
1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
CID 82053998
2-[4-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone
CID 110830029
2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone
CID 93191468
1-(3-chloro-4-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052865
1-[3-(azepan-1-ylmethyl)-4-ethoxyphenyl]ethanone
CID 60644688
1-(3,4-diethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-one
CID 6430840

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone (CID 82050354) is 1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone is CCOc1ccc(C(=O)CN2CCCCC2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone?
The InChIKey is ZYULEPIZRBDDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-20-16-9-8-14(12-17(16)21-4-2)15(19)13-18-10-6-5-7-11-18/h8-9,12H,3-7,10-11,13H2,1-2H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone?
1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone has a molecular weight of 291.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 82050354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).