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

C24H29NO2 — CID 18794623

IUPAC6-methoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CCC(CCN1CCC(c3ccccc3)CC1)C2=O
InChIInChI=1S/C24H29NO2/c1-27-22-9-10-23-21(17-22)8-7-20(24(23)26)13-16-25-14-11-19(12-15-25)18-5-3-2-4-6-18/h2-6,9-10,17,19-20H,7-8,11-16H2,1H3
InChIKeyHRMMILVLHGLQCI-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.71
Rot. Bonds5

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

6-methoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 18794623) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 6-methoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-methoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID18794623
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name6-methoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CCC(CCN1CCC(c3ccccc3)CC1)C2=O
InChIInChI=1S/C24H29NO2/c1-27-22-9-10-23-21(17-22)8-7-20(24(23)26)13-16-25-14-11-19(12-15-25)18-5-3-2-4-6-18/h2-6,9-10,17,19-20H,7-8,11-16H2,1H3
InChIKeyHRMMILVLHGLQCI-UHFFFAOYSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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
2,6-Dimethoxyanthracene-9,10-dione
CID 4589998
10-(Cyclopropylmethyl)-4-ethoxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
CID 44274148
2-[4-methoxy-3-(4-morpholinylmethyl)benzylidene]-3,4-dihydro-1(2H)-naphthalenone
CID 1219914
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
2-Methoxyanthraquinone
CID 18646
Propiophenone, 3-(4-benzylpiperidino)-4'-methoxy-, hydrochloride
CID 24843854
Trioxifene
CID 50139
(2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one
CID 10521609
(2E)-2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
CID 1219913
Mesityl[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
CID 2741901

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-methoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one (CID 18794623) is 6-methoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-methoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-methoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one is COc1ccc2c(c1)CCC(CCN1CCC(c3ccccc3)CC1)C2=O.
What is the InChIKey of 6-methoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is HRMMILVLHGLQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-27-22-9-10-23-21(17-22)8-7-20(24(23)26)13-16-25-14-11-19(12-15-25)18-5-3-2-4-6-18/h2-6,9-10,17,19-20H,7-8,11-16H2,1H3.
What are the key properties of 6-methoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one?
6-methoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 363.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 18794623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).