2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one

C23H27NO2 — CID 21444520

IUPAC2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one
SMILESCC1(CN2CCC(O)(c3ccccc3)CC2)CCc2ccccc2C1=O
InChIInChI=1S/C23H27NO2/c1-22(12-11-18-7-5-6-10-20(18)21(22)25)17-24-15-13-23(26,14-16-24)19-8-3-2-4-9-19/h2-10,26H,11-17H2,1H3
InChIKeyIQEHNTRMKYBMAB-UHFFFAOYSA-N
MW349.47 g/mol
LogP3.81
Rot. Bonds3

About 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one

2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one (PubChem CID 21444520) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one
PubChem CID21444520
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one
SMILESCC1(CN2CCC(O)(c3ccccc3)CC2)CCc2ccccc2C1=O
InChIInChI=1S/C23H27NO2/c1-22(12-11-18-7-5-6-10-20(18)21(22)25)17-24-15-13-23(26,14-16-24)19-8-3-2-4-9-19/h2-10,26H,11-17H2,1H3
InChIKeyIQEHNTRMKYBMAB-UHFFFAOYSA-N
XLogP3.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one (CID 21444520) is 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one is CC1(CN2CCC(O)(c3ccccc3)CC2)CCc2ccccc2C1=O.
What is the InChIKey of 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one?
The InChIKey is IQEHNTRMKYBMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-22(12-11-18-7-5-6-10-20(18)21(22)25)17-24-15-13-23(26,14-16-24)19-8-3-2-4-9-19/h2-10,26H,11-17H2,1H3.
What are the key properties of 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one?
2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one has a molecular weight of 349.47 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 21444520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).