1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one

C16H23NO3 — CID 60742305

IUPAC1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one
SMILESO=C(CCc1ccccc1O)N1CCCCC1CCO
InChIInChI=1S/C16H23NO3/c18-12-10-14-6-3-4-11-17(14)16(20)9-8-13-5-1-2-7-15(13)19/h1-2,5,7,14,18-19H,3-4,6,8-12H2
InChIKeyNYLAJVOQWMTBFU-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.09
Rot. Bonds5

About 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one

1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one (PubChem CID 60742305) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one
PubChem CID60742305
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one
SMILESO=C(CCc1ccccc1O)N1CCCCC1CCO
InChIInChI=1S/C16H23NO3/c18-12-10-14-6-3-4-11-17(14)16(20)9-8-13-5-1-2-7-15(13)19/h1-2,5,7,14,18-19H,3-4,6,8-12H2
InChIKeyNYLAJVOQWMTBFU-UHFFFAOYSA-N
XLogP2.09
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one with MolForge

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Related Compounds

3-(4-fluorophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 60743171
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 60743184
2-(2-hydroxyphenyl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 80740881
1-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 124573392
2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 97018683
3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43421333
1-[2-(chloromethyl)azepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 116639223
1-[2-(aminomethyl)azepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 116639941
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
1-[2-(4-bromophenyl)pyrrolidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one
CID 47064102
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 124569843
3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one
CID 54885747

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one?
The IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one (CID 60742305) is 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one?
The canonical SMILES for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one is O=C(CCc1ccccc1O)N1CCCCC1CCO.
What is the InChIKey of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one?
The InChIKey is NYLAJVOQWMTBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-12-10-14-6-3-4-11-17(14)16(20)9-8-13-5-1-2-7-15(13)19/h1-2,5,7,14,18-19H,3-4,6,8-12H2.
What are the key properties of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one?
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one has a molecular weight of 277.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 60742305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).