5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol

C19H29NO2 — CID 58951100

IUPAC5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
SMILESCOc1cccc2c1CCC(C)(C)C2(O)C1CCN(C)CC1
InChIInChI=1S/C19H29NO2/c1-18(2)11-8-15-16(6-5-7-17(15)22-4)19(18,21)14-9-12-20(3)13-10-14/h5-7,14,21H,8-13H2,1-4H3
InChIKeyCNCMDFROMMWUHG-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.20
Rot. Bonds2

About 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol

5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol (PubChem CID 58951100) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
PubChem CID58951100
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
SMILESCOc1cccc2c1CCC(C)(C)C2(O)C1CCN(C)CC1
InChIInChI=1S/C19H29NO2/c1-18(2)11-8-15-16(6-5-7-17(15)22-4)19(18,21)14-9-12-20(3)13-10-14/h5-7,14,21H,8-13H2,1-4H3
InChIKeyCNCMDFROMMWUHG-UHFFFAOYSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol?
The IUPAC name of 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol (CID 58951100) is 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol.
What is the SMILES notation for 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol?
The canonical SMILES for 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol is COc1cccc2c1CCC(C)(C)C2(O)C1CCN(C)CC1.
What is the InChIKey of 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol?
The InChIKey is CNCMDFROMMWUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-18(2)11-8-15-16(6-5-7-17(15)22-4)19(18,21)14-9-12-20(3)13-10-14/h5-7,14,21H,8-13H2,1-4H3.
What are the key properties of 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol?
5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol has a molecular weight of 303.45 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol is sourced from PubChem (CID 58951100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).