1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one

C22H27NO2 — CID 111439401

IUPAC1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(C)C(=O)N2CCC(C(O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H27NO2/c1-16-7-6-10-20(15-16)17(2)22(25)23-13-11-19(12-14-23)21(24)18-8-4-3-5-9-18/h3-10,15,17,19,21,24H,11-14H2,1-2H3
InChIKeyOEDNJJAYHJKTHY-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.07
Rot. Bonds4

About 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one

1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one (PubChem CID 111439401) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one
PubChem CID111439401
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(C)C(=O)N2CCC(C(O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H27NO2/c1-16-7-6-10-20(15-16)17(2)22(25)23-13-11-19(12-14-23)21(24)18-8-4-3-5-9-18/h3-10,15,17,19,21,24H,11-14H2,1-2H3
InChIKeyOEDNJJAYHJKTHY-UHFFFAOYSA-N
XLogP4.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 111435943
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110921876
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
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
(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one
CID 124616877
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one
CID 119520449
2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 55832752
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 55533895

Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one?
The IUPAC name of 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one (CID 111439401) is 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one?
The canonical SMILES for 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one is Cc1cccc(C(C)C(=O)N2CCC(C(O)c3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one?
The InChIKey is OEDNJJAYHJKTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-16-7-6-10-20(15-16)17(2)22(25)23-13-11-19(12-14-23)21(24)18-8-4-3-5-9-18/h3-10,15,17,19,21,24H,11-14H2,1-2H3.
What are the key properties of 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one?
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one has a molecular weight of 337.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 111439401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).