1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one

C21H26N2O2 — CID 96580901

IUPAC1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESO=C(CCc1ccccn1)N1CCCC[C@H]1CCc1ccc(O)cc1
InChIInChI=1S/C21H26N2O2/c24-20-12-8-17(9-13-20)7-11-19-6-2-4-16-23(19)21(25)14-10-18-5-1-3-15-22-18/h1,3,5,8-9,12-13,15,19,24H,2,4,6-7,10-11,14,16H2/t19-/m0/s1
InChIKeyVFDMPSHGJNKVBQ-IBGZPJMESA-N
MW338.45 g/mol
LogP3.73
Rot. Bonds6

About 1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one

1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 96580901) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID96580901
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESO=C(CCc1ccccn1)N1CCCC[C@H]1CCc1ccc(O)cc1
InChIInChI=1S/C21H26N2O2/c24-20-12-8-17(9-13-20)7-11-19-6-2-4-16-23(19)21(25)14-10-18-5-1-3-15-22-18/h1,3,5,8-9,12-13,15,19,24H,2,4,6-7,10-11,14,16H2/t19-/m0/s1
InChIKeyVFDMPSHGJNKVBQ-IBGZPJMESA-N
XLogP3.73
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81479420
1-[2-(hydroxymethyl)azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 116636366
3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
CID 45211722
3-amino-N-[[1-(3-pyridin-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120578303
1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 46988256
3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
CID 118773858
2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione
CID 95227998
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 91841533
(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 81453761
1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 99929974
1-[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 96573249
2-(2-phenylimidazol-1-yl)-1-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 97121325

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one (CID 96580901) is 1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one is O=C(CCc1ccccn1)N1CCCC[C@H]1CCc1ccc(O)cc1.
What is the InChIKey of 1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is VFDMPSHGJNKVBQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O2/c24-20-12-8-17(9-13-20)7-11-19-6-2-4-16-23(19)21(25)14-10-18-5-1-3-15-22-18/h1,3,5,8-9,12-13,15,19,24H,2,4,6-7,10-11,14,16H2/t19-/m0/s1.
What are the key properties of 1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 338.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 96580901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).