1-[2-(hydroxymethyl)phenyl]piperidin-2-one

C12H15NO2 — CID 100933154

IUPAC1-[2-(hydroxymethyl)phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccccc1CO
InChIInChI=1S/C12H15NO2/c14-9-10-5-1-2-6-11(10)13-8-4-3-7-12(13)15/h1-2,5-6,14H,3-4,7-9H2
InChIKeyNWDJJPANGYGVQC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.70
Rot. Bonds2

About 1-[2-(hydroxymethyl)phenyl]piperidin-2-one

1-[2-(hydroxymethyl)phenyl]piperidin-2-one (PubChem CID 100933154) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)phenyl]piperidin-2-one
PubChem CID100933154
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-[2-(hydroxymethyl)phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccccc1CO
InChIInChI=1S/C12H15NO2/c14-9-10-5-1-2-6-11(10)13-8-4-3-7-12(13)15/h1-2,5-6,14H,3-4,7-9H2
InChIKeyNWDJJPANGYGVQC-UHFFFAOYSA-N
XLogP1.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid
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1-(2-hydroxyphenyl)pyrrolidin-2-one
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1-[2-(2,2-dimethoxyethyl)phenyl]pyrrolidin-2-one
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2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
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2-[2-(2-oxopiperidin-1-yl)phenoxy]acetic acid
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1-[2-[2-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]phenyl]piperidin-2-one
CID 71523359
1-(2-hydroxy-3-prop-2-enylphenyl)pyrrolidin-2-one
CID 70514699
1-[2-(4-hydroxybut-1-ynyl)phenyl]pyrrolidin-2-one
CID 60813162
1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one
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1-(2,3-difluorophenyl)azepan-2-one
CID 141144880
1-[2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one
CID 71523159

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)phenyl]piperidin-2-one?
The IUPAC name of 1-[2-(hydroxymethyl)phenyl]piperidin-2-one (CID 100933154) is 1-[2-(hydroxymethyl)phenyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)phenyl]piperidin-2-one?
The canonical SMILES for 1-[2-(hydroxymethyl)phenyl]piperidin-2-one is O=C1CCCCN1c1ccccc1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)phenyl]piperidin-2-one?
The InChIKey is NWDJJPANGYGVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-9-10-5-1-2-6-11(10)13-8-4-3-7-12(13)15/h1-2,5-6,14H,3-4,7-9H2.
What are the key properties of 1-[2-(hydroxymethyl)phenyl]piperidin-2-one?
1-[2-(hydroxymethyl)phenyl]piperidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)phenyl]piperidin-2-one is sourced from PubChem (CID 100933154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).