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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Related Compounds

1-Propanone, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-, hydrochloride (1:1)
CID 70563
10-(Cyclopropylmethyl)-4-ethoxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
CID 44274148
1-(4-Methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2984719
1-(4-Methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one--hydrogen chloride (1/1)
CID 24761516
Propiophenone, 3-(4-benzylpiperidino)-4'-methoxy-, hydrochloride
CID 24843854
(2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one
CID 10521609
2-(6-Methoxynaphthalen-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 16282118
[1-(2-Hydroxyethyl)piperidin-3-yl](4-methoxy-2-methylphenyl)methanone
CID 23723724
6-phenylmethoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 10455882
3-Methoxy normorphinan
CID 10635842
1-[4-[3-(4-Benzhydrylpiperidin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 14407119
2-[(1-Benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride
CID 14553351

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).