2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one

C23H28N2O2 — CID 21444493

IUPAC2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one
SMILESCNc1cccc2c1CCC(CN1CCC(O)(c3ccccc3)CC1)C2=O
InChIInChI=1S/C23H28N2O2/c1-24-21-9-5-8-20-19(21)11-10-17(22(20)26)16-25-14-12-23(27,13-15-25)18-6-3-2-4-7-18/h2-9,17,24,27H,10-16H2,1H3
InChIKeyJABVJIUUMPJXBM-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.46
Rot. Bonds4

About 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one

2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 21444493) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID21444493
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one
SMILESCNc1cccc2c1CCC(CN1CCC(O)(c3ccccc3)CC1)C2=O
InChIInChI=1S/C23H28N2O2/c1-24-21-9-5-8-20-19(21)11-10-17(22(20)26)16-25-14-12-23(27,13-15-25)18-6-3-2-4-7-18/h2-9,17,24,27H,10-16H2,1H3
InChIKeyJABVJIUUMPJXBM-UHFFFAOYSA-N
XLogP3.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Related Compounds

2-[[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 21444469
6-(dimethylamino)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 21444658
8-chloro-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 21444481
2-[[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methyl]-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 54114379
1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338
3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 15691846
2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one
CID 21444520
1-(3,3-diphenylprop-2-enyl)-4-phenylpiperidin-4-ol
CID 21127291
8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 138696563
1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol
CID 91840019
1-(2-aminoethyl)-4-phenylpiperidin-4-ol
CID 15289503
4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione
CID 19813058

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one (CID 21444493) is 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one is CNc1cccc2c1CCC(CN1CCC(O)(c3ccccc3)CC1)C2=O.
What is the InChIKey of 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is JABVJIUUMPJXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-24-21-9-5-8-20-19(21)11-10-17(22(20)26)16-25-14-12-23(27,13-15-25)18-6-3-2-4-7-18/h2-9,17,24,27H,10-16H2,1H3.
What are the key properties of 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one?
2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 364.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-5-(methylamino)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 21444493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).