6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one

C36H37NO2 — CID 18794662

IUPAC6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2CCC1CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C36H37NO2/c38-36-32(21-24-37-22-19-31(20-23-37)29-9-5-2-6-10-29)15-16-33-25-34(17-18-35(33)36)39-26-27-11-13-30(14-12-27)28-7-3-1-4-8-28/h1-14,17-18,25,31-32H,15-16,19-24,26H2
InChIKeyCWQKVNKWLYIJAS-UHFFFAOYSA-N
MW515.70 g/mol
LogP7.95
Rot. Bonds8

About 6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one

6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 18794662) has the molecular formula C36H37NO2 and a molecular weight of 515.70 g/mol. Its IUPAC name is 6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID18794662
Molecular FormulaC36H37NO2
Molecular Weight515.70 g/mol
Exact Mass515.28
IUPAC Name6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2CCC1CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C36H37NO2/c38-36-32(21-24-37-22-19-31(20-23-37)29-9-5-2-6-10-29)15-16-33-25-34(17-18-35(33)36)39-26-27-11-13-30(14-12-27)28-7-3-1-4-8-28/h1-14,17-18,25,31-32H,15-16,19-24,26H2
InChIKeyCWQKVNKWLYIJAS-UHFFFAOYSA-N
XLogP7.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.70
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Related Compounds

1-{2-[6-(Biphenyl-4-ylmethoxy)-1,2,3,4-tetrahydro-naphthalen-2-yl]-ethyl}-piperidine
CID 9868950
1-{7-Hydroxy-5-methyl-10-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-phenanthren-2-yl}-2-methyl-propan-1-one
CID 10184413
1-{7-Hydroxy-5-methyl-10-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-phenanthren-2-yl}-ethanone
CID 10275916
6-phenylmethoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 10455882
1-[4-[3-(4-Benzhydrylpiperidin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 14407119
1-[4-[3-[4-[Bis(4-methoxyphenyl)methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 14407126
1-[4-[3-[4-[Bis(4-methylphenyl)methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 14407127
1-[4-[6-[4-[Bis(4-fluorophenyl)methyl]-1-piperdinyl]hexyloxy]-3-methoxyphenyl]ethanone
CID 15093866
(6-methoxy-2-naphthyl)[1-(tetrahydro-2H-pyran-4-yl)piperidin-3-yl]methanone
CID 16188363
6-[(2-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 18794560
6-methoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 18794623
6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 18794698

Frequently Asked Questions

What is the IUPAC name of 6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one (CID 18794662) is 6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2CCC1CCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is CWQKVNKWLYIJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37NO2/c38-36-32(21-24-37-22-19-31(20-23-37)29-9-5-2-6-10-29)15-16-33-25-34(17-18-35(33)36)39-26-27-11-13-30(14-12-27)28-7-3-1-4-8-28/h1-14,17-18,25,31-32H,15-16,19-24,26H2.
What are the key properties of 6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one?
6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 515.70 g/mol, XLogP of 7.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 18794662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).