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

C15H21NO3 — CID 43421553

IUPAC1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CCCCC2CO)c1
InChIInChI=1S/C15H21NO3/c1-19-14-7-4-5-12(9-14)10-15(18)16-8-3-2-6-13(16)11-17/h4-5,7,9,13,17H,2-3,6,8,10-11H2,1H3
InChIKeyXSBDQVNSRXNLND-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.61
Rot. Bonds4

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

1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone (PubChem CID 43421553) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
PubChem CID43421553
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CCCCC2CO)c1
InChIInChI=1S/C15H21NO3/c1-19-14-7-4-5-12(9-14)10-15(18)16-8-3-2-6-13(16)11-17/h4-5,7,9,13,17H,2-3,6,8,10-11H2,1H3
InChIKeyXSBDQVNSRXNLND-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid
CID 61009136
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 66262478
2-(3-methoxyphenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81484743
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530
1-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 96571230
2-(3-methoxyphenyl)-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125009146
2-(3-methoxyphenyl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95314657
1-[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 94813603
2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79030258
2-(3-aminophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62498208
2-(2,4-dimethoxyphenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79028156

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone (CID 43421553) is 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)N2CCCCC2CO)c1.
What is the InChIKey of 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone?
The InChIKey is XSBDQVNSRXNLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-14-7-4-5-12(9-14)10-15(18)16-8-3-2-6-13(16)11-17/h4-5,7,9,13,17H,2-3,6,8,10-11H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone?
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 43421553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).