2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone

C23H37NO2 — CID 58507015

IUPAC2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone
SMILESCCCCCCCCCCc1ccc(CC(=O)[C@H]2C[C@H](O)CCN2)cc1
InChIInChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-19-11-13-20(14-12-19)17-23(26)22-18-21(25)15-16-24-22/h11-14,21-22,24-25H,2-10,15-18H2,1H3/t21-,22-/m1/s1
InChIKeyVGCRAOKKGXCIPB-FGZHOGPDSA-N
MW359.55 g/mol
LogP4.59
Rot. Bonds12

About 2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone

2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone (PubChem CID 58507015) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is 2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone
PubChem CID58507015
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone
SMILESCCCCCCCCCCc1ccc(CC(=O)[C@H]2C[C@H](O)CCN2)cc1
InChIInChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-19-11-13-20(14-12-19)17-23(26)22-18-21(25)15-16-24-22/h11-14,21-22,24-25H,2-10,15-18H2,1H3/t21-,22-/m1/s1
InChIKeyVGCRAOKKGXCIPB-FGZHOGPDSA-N
XLogP4.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-2-yl]-2-(4-octylphenyl)ethanone
CID 58507095
(4-hexylphenyl)-piperidin-2-ylmethanone
CID 82341686
3-hydroxy-N-(4-octylphenyl)pyrrolidine-2-carboxamide
CID 70668594
2-[(4R)-4-hydroxypyrrolidin-2-yl]-1-(4-octylphenyl)ethanone
CID 159041092
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
sodium 2-(4-tridecylphenyl)acetate
CID 23717024
[(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol
CID 147473503
[(3S,5R)-5-[2-(4-octylphenyl)acetyl]pyrrolidin-3-yl] dihydrogen phosphate;[(3R,5S)-5-[2-(4-octylphenyl)acetyl]pyrrolidin-3-yl] dihydrogen phosphate;(1R)-1-(4-octylphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 157164172
(2R,4R)-4-(4-heptylphenoxy)pyrrolidine-2-carboxylic acid
CID 71070502
2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393419
2-(4-butylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549772
1-butyl-4-nonylbenzene
CID 59545302

Frequently Asked Questions

What is the IUPAC name of 2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone?
The IUPAC name of 2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone (CID 58507015) is 2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone.
What is the SMILES notation for 2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone?
The canonical SMILES for 2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone is CCCCCCCCCCc1ccc(CC(=O)[C@H]2C[C@H](O)CCN2)cc1.
What is the InChIKey of 2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone?
The InChIKey is VGCRAOKKGXCIPB-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-19-11-13-20(14-12-19)17-23(26)22-18-21(25)15-16-24-22/h11-14,21-22,24-25H,2-10,15-18H2,1H3/t21-,22-/m1/s1.
What are the key properties of 2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone?
2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone has a molecular weight of 359.55 g/mol, XLogP of 4.59, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-decylphenyl)-1-[(2R,4R)-4-hydroxypiperidin-2-yl]ethanone is sourced from PubChem (CID 58507015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).