1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone

C20H24N2O2 — CID 46988256

IUPAC1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCCCC1CCc1ccc(O)cc1
InChIInChI=1S/C20H24N2O2/c23-19-10-7-16(8-11-19)6-9-18-5-1-2-13-22(18)20(24)14-17-4-3-12-21-15-17/h3-4,7-8,10-12,15,18,23H,1-2,5-6,9,13-14H2
InChIKeyQXXSBWRXBCJTOL-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.34
Rot. Bonds5

About 1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone

1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 46988256) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID46988256
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCCCC1CCc1ccc(O)cc1
InChIInChI=1S/C20H24N2O2/c23-19-10-7-16(8-11-19)6-9-18-5-1-2-13-22(18)20(24)14-17-4-3-12-21-15-17/h3-4,7-8,10-12,15,18,23H,1-2,5-6,9,13-14H2
InChIKeyQXXSBWRXBCJTOL-UHFFFAOYSA-N
XLogP3.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 79030214
1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 96580901
2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 14810985
1-[(2R)-2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione
CID 95477017
1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 97101247
[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97139701
2-(3-methoxyphenyl)-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125009146
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid
CID 61009259
1-[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 96573249
N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide
CID 161443494
2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate
CID 56913114
2-pyridin-3-yl-1-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]ethanone
CID 18915165

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone (CID 46988256) is 1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCCCC1CCc1ccc(O)cc1.
What is the InChIKey of 1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is QXXSBWRXBCJTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19-10-7-16(8-11-19)6-9-18-5-1-2-13-22(18)20(24)14-17-4-3-12-21-15-17/h3-4,7-8,10-12,15,18,23H,1-2,5-6,9,13-14H2.
What are the key properties of 1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone?
1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 324.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 46988256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).