6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one

C24H29NO2 — CID 15462159

IUPAC6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)CCC(C)(CN1CCC(c3ccccc3)CC1)C2=O
InChIInChI=1S/C24H29NO2/c1-24(13-10-20-16-21(27-2)8-9-22(20)23(24)26)17-25-14-11-19(12-15-25)18-6-4-3-5-7-18/h3-9,16,19H,10-15,17H2,1-2H3
InChIKeyWRTPJWJOIFXGJN-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.71
Rot. Bonds4

About 6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one

6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one (PubChem CID 15462159) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one
PubChem CID15462159
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)CCC(C)(CN1CCC(c3ccccc3)CC1)C2=O
InChIInChI=1S/C24H29NO2/c1-24(13-10-20-16-21(27-2)8-9-22(20)23(24)26)17-25-14-11-19(12-15-25)18-6-4-3-5-7-18/h3-9,16,19H,10-15,17H2,1-2H3
InChIKeyWRTPJWJOIFXGJN-UHFFFAOYSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one?
The IUPAC name of 6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one (CID 15462159) is 6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one is COc1ccc2c(c1)CCC(C)(CN1CCC(c3ccccc3)CC1)C2=O.
What is the InChIKey of 6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one?
The InChIKey is WRTPJWJOIFXGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-24(13-10-20-16-21(27-2)8-9-22(20)23(24)26)17-25-14-11-19(12-15-25)18-6-4-3-5-7-18/h3-9,16,19H,10-15,17H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one?
6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one has a molecular weight of 363.50 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-2-[(4-phenylpiperidin-1-yl)methyl]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 15462159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).