1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one

C17H25NO3 — CID 116563449

IUPAC1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one
SMILESCOCCOc1ccccc1C(=O)CCC1CCNCC1
InChIInChI=1S/C17H25NO3/c1-20-12-13-21-17-5-3-2-4-15(17)16(19)7-6-14-8-10-18-11-9-14/h2-5,14,18H,6-13H2,1H3
InChIKeyVLMICZFRTNZAAT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.67
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one

1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one (PubChem CID 116563449) 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-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one
PubChem CID116563449
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one
SMILESCOCCOc1ccccc1C(=O)CCC1CCNCC1
InChIInChI=1S/C17H25NO3/c1-20-12-13-21-17-5-3-2-4-15(17)16(19)7-6-14-8-10-18-11-9-14/h2-5,14,18H,6-13H2,1H3
InChIKeyVLMICZFRTNZAAT-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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-2-ylpropan-1-one
CID 116563723
1-[2-(2-methoxyethoxy)phenyl]pentan-1-one
CID 104659358
1-[2-(2-methoxyethoxy)phenyl]-2-morpholin-2-ylethanone
CID 116586332
2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 103168074
1-(3-bromo-2,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-1-one
CID 103524254
1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105128345
4-[2-(2-methoxyethoxy)phenyl]piperidine;hydrochloride
CID 163359265
1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one
CID 46890851
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one
CID 116607622
[2-(2-methoxyethoxy)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994646

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one (CID 116563449) is 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one is COCCOc1ccccc1C(=O)CCC1CCNCC1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one?
The InChIKey is VLMICZFRTNZAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-12-13-21-17-5-3-2-4-15(17)16(19)7-6-14-8-10-18-11-9-14/h2-5,14,18H,6-13H2,1H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one?
1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.67, 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-4-ylpropan-1-one is sourced from PubChem (CID 116563449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).