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

C30H33NO2 — CID 10455882

IUPAC6-phenylmethoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(OCc3ccccc3)cc2CCC1CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C30H33NO2/c32-30-26(17-20-31-18-15-25(16-19-31)24-9-5-2-6-10-24)11-12-27-21-28(13-14-29(27)30)33-22-23-7-3-1-4-8-23/h1-10,13-14,21,25-26H,11-12,15-20,22H2
InChIKeyCYZOBDVPCDGVGS-UHFFFAOYSA-N
MW439.60 g/mol
LogP6.28
Rot. Bonds7

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

6-phenylmethoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10455882) has the molecular formula C30H33NO2 and a molecular weight of 439.60 g/mol. Its IUPAC name is 6-phenylmethoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-phenylmethoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10455882
Molecular FormulaC30H33NO2
Molecular Weight439.60 g/mol
Exact Mass439.25
IUPAC Name6-phenylmethoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(OCc3ccccc3)cc2CCC1CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C30H33NO2/c32-30-26(17-20-31-18-15-25(16-19-31)24-9-5-2-6-10-24)11-12-27-21-28(13-14-29(27)30)33-22-23-7-3-1-4-8-23/h1-10,13-14,21,25-26H,11-12,15-20,22H2
InChIKeyCYZOBDVPCDGVGS-UHFFFAOYSA-N
XLogP6.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-phenylmethoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one (CID 10455882) is 6-phenylmethoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-phenylmethoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-phenylmethoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccc(OCc3ccccc3)cc2CCC1CCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 6-phenylmethoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is CYZOBDVPCDGVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO2/c32-30-26(17-20-31-18-15-25(16-19-31)24-9-5-2-6-10-24)11-12-27-21-28(13-14-29(27)30)33-22-23-7-3-1-4-8-23/h1-10,13-14,21,25-26H,11-12,15-20,22H2.
What are the key properties of 6-phenylmethoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one?
6-phenylmethoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 439.60 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10455882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).