3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one

C22H25NO2 — CID 15691846

IUPAC3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CC(CN2CCC(O)(c3ccccc3)CC2)Cc2ccccc21
InChIInChI=1S/C22H25NO2/c24-21-15-17(14-18-6-4-5-9-20(18)21)16-23-12-10-22(25,11-13-23)19-7-2-1-3-8-19/h1-9,17,25H,10-16H2
InChIKeyQXPWDQWINFEIAQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.42
Rot. Bonds3

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

3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 15691846) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID15691846
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CC(CN2CCC(O)(c3ccccc3)CC2)Cc2ccccc21
InChIInChI=1S/C22H25NO2/c24-21-15-17(14-18-6-4-5-9-20(18)21)16-23-12-10-22(25,11-13-23)19-7-2-1-3-8-19/h1-9,17,25H,10-16H2
InChIKeyQXPWDQWINFEIAQ-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 15691846) is 3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1CC(CN2CCC(O)(c3ccccc3)CC2)Cc2ccccc21.
What is the InChIKey of 3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is QXPWDQWINFEIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c24-21-15-17(14-18-6-4-5-9-20(18)21)16-23-12-10-22(25,11-13-23)19-7-2-1-3-8-19/h1-9,17,25H,10-16H2.
What are the key properties of 3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 335.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 15691846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).