3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one

C21H25NO2 — CID 2924838

IUPAC3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
SMILESCc1cccc(C(CC(=O)N2CCCCC2)c2ccccc2)c1O
InChIInChI=1S/C21H25NO2/c1-16-9-8-12-18(21(16)24)19(17-10-4-2-5-11-17)15-20(23)22-13-6-3-7-14-22/h2,4-5,8-12,19,24H,3,6-7,13-15H2,1H3
InChIKeyGVXZKBWYNJENTC-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.24
Rot. Bonds4

About 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one

3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one (PubChem CID 2924838) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
PubChem CID2924838
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
SMILESCc1cccc(C(CC(=O)N2CCCCC2)c2ccccc2)c1O
InChIInChI=1S/C21H25NO2/c1-16-9-8-12-18(21(16)24)19(17-10-4-2-5-11-17)15-20(23)22-13-6-3-7-14-22/h2,4-5,8-12,19,24H,3,6-7,13-15H2,1H3
InChIKeyGVXZKBWYNJENTC-UHFFFAOYSA-N
XLogP4.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

US9676786, example 6
CID 118195533
3-(2-Hydroxyphenyl)-3-phenyl-1-(piperidin-1-yl)propan-1-one
CID 3149891
3-(2-Hydroxy-3,4-dimethylphenyl)-3-phenyl-1-(piperidin-1-yl)propan-1-one
CID 4586649
1-(Azetidin-1-yl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propan-1-one
CID 9207941
Napropamide Isomer 2
CID 139595061
3-(2-hydroxyphenyl)-3-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 2900449
3-(2-Hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one
CID 2946962
3-(2-hydroxy-3-methylphenyl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 2939328
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone
CID 46914727
3-(2-Hydroxy-phenyl)-N-(2-morpholin-4-yl-ethyl)-3-phenyl-propionamide
CID 655118
N-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide
CID 2902277
N-(tert-butyl)-3-(2-hydroxyphenyl)-3-phenylpropanamide
CID 2902872

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one (CID 2924838) is 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one is Cc1cccc(C(CC(=O)N2CCCCC2)c2ccccc2)c1O.
What is the InChIKey of 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is GVXZKBWYNJENTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-16-9-8-12-18(21(16)24)19(17-10-4-2-5-11-17)15-20(23)22-13-6-3-7-14-22/h2,4-5,8-12,19,24H,3,6-7,13-15H2,1H3.
What are the key properties of 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 323.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 2924838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).