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

C22H24ClNO2 — CID 21444481

IUPAC8-chloro-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2c(Cl)cccc2CCC1CN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C22H24ClNO2/c23-19-8-4-5-16-9-10-17(21(25)20(16)19)15-24-13-11-22(26,12-14-24)18-6-2-1-3-7-18/h1-8,17,26H,9-15H2
InChIKeyJUFPHFUFPJFWOS-UHFFFAOYSA-N
MW369.89 g/mol
LogP4.07
Rot. Bonds3

About 8-chloro-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one

8-chloro-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 21444481) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is 8-chloro-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-chloro-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID21444481
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC Name8-chloro-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2c(Cl)cccc2CCC1CN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C22H24ClNO2/c23-19-8-4-5-16-9-10-17(21(25)20(16)19)15-24-13-11-22(26,12-14-24)18-6-2-1-3-7-18/h1-8,17,26H,9-15H2
InChIKeyJUFPHFUFPJFWOS-UHFFFAOYSA-N
XLogP4.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-chloro-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 21444481) is 8-chloro-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-chloro-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-chloro-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2c(Cl)cccc2CCC1CN1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 8-chloro-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is JUFPHFUFPJFWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO2/c23-19-8-4-5-16-9-10-17(21(25)20(16)19)15-24-13-11-22(26,12-14-24)18-6-2-1-3-7-18/h1-8,17,26H,9-15H2.
What are the key properties of 8-chloro-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
8-chloro-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 369.89 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 21444481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).