1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone

C15H21NO2 — CID 90504984

IUPAC1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
SMILESCOCC1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-18-12-14-8-5-9-16(11-14)15(17)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyHILQWCWUOSSADD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.11
Rot. Bonds4

About 1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone

1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 90504984) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
PubChem CID90504984
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
SMILESCOCC1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-18-12-14-8-5-9-16(11-14)15(17)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyHILQWCWUOSSADD-UHFFFAOYSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
1-[6-(methoxymethyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110252960
1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 90504874
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
2-(4-ethoxyphenyl)-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 110638412
2-(4-aminophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64568201
(3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 96541051
1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-2-[1-(2-phenylacetyl)piperidin-4-yl]ethanone
CID 92633659
1-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-[1-(2-phenylacetyl)piperidin-4-yl]ethanone
CID 110246207
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 3298248

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone (CID 90504984) is 1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone is COCC1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is HILQWCWUOSSADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-12-14-8-5-9-16(11-14)15(17)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3.
What are the key properties of 1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone?
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 247.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 90504984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).