[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine

C18H28N2O — CID 103440758

IUPAC[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine
SMILESCOc1ccc2c(c1)CCCC2N1CCC(C)CC1CN
InChIInChI=1S/C18H28N2O/c1-13-8-9-20(15(10-13)12-19)18-5-3-4-14-11-16(21-2)6-7-17(14)18/h6-7,11,13,15,18H,3-5,8-10,12,19H2,1-2H3
InChIKeyOOLKMANNHZSLOD-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.13
Rot. Bonds3

About [1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine

[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine (PubChem CID 103440758) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is [1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine
PubChem CID103440758
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine
SMILESCOc1ccc2c(c1)CCCC2N1CCC(C)CC1CN
InChIInChI=1S/C18H28N2O/c1-13-8-9-20(15(10-13)12-19)18-5-3-4-14-11-16(21-2)6-7-17(14)18/h6-7,11,13,15,18H,3-5,8-10,12,19H2,1-2H3
InChIKeyOOLKMANNHZSLOD-UHFFFAOYSA-N
XLogP3.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 [1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine (CID 103440758) is [1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine is COc1ccc2c(c1)CCCC2N1CCC(C)CC1CN.
What is the InChIKey of [1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine?
The InChIKey is OOLKMANNHZSLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-8-9-20(15(10-13)12-19)18-5-3-4-14-11-16(21-2)6-7-17(14)18/h6-7,11,13,15,18H,3-5,8-10,12,19H2,1-2H3.
What are the key properties of [1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine?
[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine has a molecular weight of 288.44 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103440758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).