1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one

C21H25NO3 — CID 110885318

IUPAC1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C21H25NO3/c1-16(25-19-10-6-3-7-11-19)21(24)22-14-12-18(13-15-22)20(23)17-8-4-2-5-9-17/h2-11,16,18,20,23H,12-15H2,1H3
InChIKeyQZSDCKPHLPOHDE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.43
Rot. Bonds5

About 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one

1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one (PubChem CID 110885318) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
PubChem CID110885318
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C21H25NO3/c1-16(25-19-10-6-3-7-11-19)21(24)22-14-12-18(13-15-22)20(23)17-8-4-2-5-9-17/h2-11,16,18,20,23H,12-15H2,1H3
InChIKeyQZSDCKPHLPOHDE-UHFFFAOYSA-N
XLogP3.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110921876
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110909523
N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55590117
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-methylpentan-1-one
CID 110909501
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 95763117
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one
CID 111439401

Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one?
The IUPAC name of 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one (CID 110885318) is 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one?
The canonical SMILES for 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one is CC(Oc1ccccc1)C(=O)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one?
The InChIKey is QZSDCKPHLPOHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16(25-19-10-6-3-7-11-19)21(24)22-14-12-18(13-15-22)20(23)17-8-4-2-5-9-17/h2-11,16,18,20,23H,12-15H2,1H3.
What are the key properties of 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one?
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one is sourced from PubChem (CID 110885318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).