1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one

C17H25NO3 — CID 116563723

IUPAC1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one
SMILESCOCCOc1ccccc1C(=O)CCC1CCCCN1
InChIInChI=1S/C17H25NO3/c1-20-12-13-21-17-8-3-2-7-15(17)16(19)10-9-14-6-4-5-11-18-14/h2-3,7-8,14,18H,4-6,9-13H2,1H3
InChIKeyZZGBUUZSWFMSEA-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.82
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one

1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one (PubChem CID 116563723) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one
PubChem CID116563723
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one
SMILESCOCCOc1ccccc1C(=O)CCC1CCCCN1
InChIInChI=1S/C17H25NO3/c1-20-12-13-21-17-8-3-2-7-15(17)16(19)10-9-14-6-4-5-11-18-14/h2-3,7-8,14,18H,4-6,9-13H2,1H3
InChIKeyZZGBUUZSWFMSEA-UHFFFAOYSA-N
XLogP2.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one
CID 116563449
azepan-2-yl-[2-(2-methoxyethoxy)phenyl]methanone
CID 116582652
ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86320486
1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563552
1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one
CID 116563794
2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone
CID 79536019
1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563786
2-(2-ethoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513373
2-ethoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
CID 43187149
1-[2-(2-methoxyethoxy)phenyl]pentan-1-one
CID 104659358
1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563754
2-[2-(2-methoxyethoxy)phenyl]piperidine
CID 104662497

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one (CID 116563723) is 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one is COCCOc1ccccc1C(=O)CCC1CCCCN1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one?
The InChIKey is ZZGBUUZSWFMSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-12-13-21-17-8-3-2-7-15(17)16(19)10-9-14-6-4-5-11-18-14/h2-3,7-8,14,18H,4-6,9-13H2,1H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one?
1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 116563723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).