1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone

C15H21NO3 — CID 3298248

IUPAC1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C15H21NO3/c1-19-14-6-4-12(5-7-14)9-15(18)16-8-2-3-13(10-16)11-17/h4-7,13,17H,2-3,8-11H2,1H3
InChIKeyPWIFAAUCQIICFB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.47
Rot. Bonds4

About 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 3298248) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID3298248
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C15H21NO3/c1-19-14-6-4-12(5-7-14)9-15(18)16-8-2-3-13(10-16)11-17/h4-7,13,17H,2-3,8-11H2,1H3
InChIKeyPWIFAAUCQIICFB-UHFFFAOYSA-N
XLogP1.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403279
3-[(3S)-1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124686051
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
1-(3-aminopyrrolidin-1-yl)-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119482626
N-[4-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 43403590
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119483951
N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide
CID 77041744
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119593429
2-(4-ethoxyphenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62355915
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
2-(4-ethoxyphenyl)-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 110638412

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 3298248) is 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCCC(CO)C2)cc1.
What is the InChIKey of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is PWIFAAUCQIICFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-14-6-4-12(5-7-14)9-15(18)16-8-2-3-13(10-16)11-17/h4-7,13,17H,2-3,8-11H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 3298248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).