1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one

C15H21NO2 — CID 114065869

IUPAC1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCCC(OC)C2)cc1
InChIInChI=1S/C15H21NO2/c1-3-15(17)12-6-8-13(9-7-12)16-10-4-5-14(11-16)18-2/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyWHELDWOCFYLWGS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.89
Rot. Bonds4

About 1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one

1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one (PubChem CID 114065869) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one
PubChem CID114065869
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCCC(OC)C2)cc1
InChIInChI=1S/C15H21NO2/c1-3-15(17)12-6-8-13(9-7-12)16-10-4-5-14(11-16)18-2/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyWHELDWOCFYLWGS-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one
CID 114065871
3-methoxy-1-(4-methylphenyl)piperidine
CID 167437498
(1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol
CID 102960094
3-methoxy-1-phenylpiperidine
CID 70382121
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464
1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960713
3-bromo-5-(3-methoxypiperidin-1-yl)benzoic acid
CID 102970726
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569
2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141474
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one (CID 114065869) is 1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one is CCC(=O)c1ccc(N2CCCC(OC)C2)cc1.
What is the InChIKey of 1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one?
The InChIKey is WHELDWOCFYLWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-15(17)12-6-8-13(9-7-12)16-10-4-5-14(11-16)18-2/h6-9,14H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one?
1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one is sourced from PubChem (CID 114065869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).