2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C18H28N2O — CID 79234485

IUPAC2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(N1CCC(C)(C)CC1)CC2
InChIInChI=1S/C18H28N2O/c1-18(2)8-10-20(11-9-18)16-7-5-13-4-6-14(21-3)12-15(13)17(16)19/h4,6,12,16-17H,5,7-11,19H2,1-3H3
InChIKeyAKJMJCLQXAHNGY-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.13
Rot. Bonds2

About 2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79234485) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79234485
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(N1CCC(C)(C)CC1)CC2
InChIInChI=1S/C18H28N2O/c1-18(2)8-10-20(11-9-18)16-7-5-13-4-6-14(21-3)12-15(13)17(16)19/h4,6,12,16-17H,5,7-11,19H2,1-3H3
InChIKeyAKJMJCLQXAHNGY-UHFFFAOYSA-N
XLogP3.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79234485) is 2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(N)C(N1CCC(C)(C)CC1)CC2.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is AKJMJCLQXAHNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2)8-10-20(11-9-18)16-7-5-13-4-6-14(21-3)12-15(13)17(16)19/h4,6,12,16-17H,5,7-11,19H2,1-3H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79234485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).