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

C24H30N2O2 — CID 21444658

IUPAC6-(dimethylamino)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN(C)c1ccc2c(c1)CCC(CN1CCC(O)(c3ccccc3)CC1)C2=O
InChIInChI=1S/C24H30N2O2/c1-25(2)21-10-11-22-18(16-21)8-9-19(23(22)27)17-26-14-12-24(28,13-15-26)20-6-4-3-5-7-20/h3-7,10-11,16,19,28H,8-9,12-15,17H2,1-2H3
InChIKeyNJCVLXPYCISXPN-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.48
Rot. Bonds4

About 6-(dimethylamino)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one

6-(dimethylamino)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 21444658) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 6-(dimethylamino)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID21444658
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name6-(dimethylamino)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN(C)c1ccc2c(c1)CCC(CN1CCC(O)(c3ccccc3)CC1)C2=O
InChIInChI=1S/C24H30N2O2/c1-25(2)21-10-11-22-18(16-21)8-9-19(23(22)27)17-26-14-12-24(28,13-15-26)20-6-4-3-5-7-20/h3-7,10-11,16,19,28H,8-9,12-15,17H2,1-2H3
InChIKeyNJCVLXPYCISXPN-UHFFFAOYSA-N
XLogP3.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(dimethylamino)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 21444658) is 6-(dimethylamino)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(dimethylamino)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(dimethylamino)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is CN(C)c1ccc2c(c1)CCC(CN1CCC(O)(c3ccccc3)CC1)C2=O.
What is the InChIKey of 6-(dimethylamino)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is NJCVLXPYCISXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-25(2)21-10-11-22-18(16-21)8-9-19(23(22)27)17-26-14-12-24(28,13-15-26)20-6-4-3-5-7-20/h3-7,10-11,16,19,28H,8-9,12-15,17H2,1-2H3.
What are the key properties of 6-(dimethylamino)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
6-(dimethylamino)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 378.52 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 21444658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).