N-METHYL-4-PHENYLPIPERIDIN-4-OL

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Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key JVMCZMQYJIRKRV-UHFFFAOYSA-N
Smiles CN1CCC(O)(CC1)c2ccccc2
InChI
InChI=1S/C12H17NO/c1-13-9-7-12(14,8-10-13)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H17NO
Molecular Weight 191.27
AlogP 1.19
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 23.47
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 14.0

Cross References

Resources Reference
ChEMBL CHEMBL2262189
PubChem 78670
SureChEMBL SCHEMBL153569
CONTENTS