1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone

C15H21NO3 — CID 113388844

IUPAC1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone
SMILESCOc1cccc(N2CCCC(CO)C2)c1C(C)=O
InChIInChI=1S/C15H21NO3/c1-11(18)15-13(6-3-7-14(15)19-2)16-8-4-5-12(9-16)10-17/h3,6-7,12,17H,4-5,8-10H2,1-2H3
InChIKeyYOCUIVYOWQKWFP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.11
Rot. Bonds4

About 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone

1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone (PubChem CID 113388844) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone
PubChem CID113388844
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone
SMILESCOc1cccc(N2CCCC(CO)C2)c1C(C)=O
InChIInChI=1S/C15H21NO3/c1-11(18)15-13(6-3-7-14(15)19-2)16-8-4-5-12(9-16)10-17/h3,6-7,12,17H,4-5,8-10H2,1-2H3
InChIKeyYOCUIVYOWQKWFP-UHFFFAOYSA-N
XLogP2.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone
CID 113388848
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone
CID 114410228
[1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117026126
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol
CID 113389249
3-[3-(hydroxymethyl)piperidin-1-yl]-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110567350
[1-(2-aminophenyl)piperidin-3-yl]methanol
CID 43590222
2-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 43590389
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-3-yl]methanol
CID 107258846
[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol
CID 33291102
2-cyclohexyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965524
methyl 5-amino-2-[3-(hydroxymethyl)piperidin-1-yl]benzoate
CID 61311881

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone (CID 113388844) is 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone is COc1cccc(N2CCCC(CO)C2)c1C(C)=O.
What is the InChIKey of 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone?
The InChIKey is YOCUIVYOWQKWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(18)15-13(6-3-7-14(15)19-2)16-8-4-5-12(9-16)10-17/h3,6-7,12,17H,4-5,8-10H2,1-2H3.
What are the key properties of 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone?
1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone is sourced from PubChem (CID 113388844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).