1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine

C13H21N3O — CID 106660907

IUPAC1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine
SMILESCOc1cnc(C)cc1N1CCC(N)C(C)C1
InChIInChI=1S/C13H21N3O/c1-9-8-16(5-4-11(9)14)12-6-10(2)15-7-13(12)17-3/h6-7,9,11H,4-5,8,14H2,1-3H3
InChIKeyNWOPEMWNJRHKFD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds2

About 1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine

1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine (PubChem CID 106660907) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine
PubChem CID106660907
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine
SMILESCOc1cnc(C)cc1N1CCC(N)C(C)C1
InChIInChI=1S/C13H21N3O/c1-9-8-16(5-4-11(9)14)12-6-10(2)15-7-13(12)17-3/h6-7,9,11H,4-5,8,14H2,1-3H3
InChIKeyNWOPEMWNJRHKFD-UHFFFAOYSA-N
XLogP1.57
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine?
The IUPAC name of 1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine (CID 106660907) is 1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine is COc1cnc(C)cc1N1CCC(N)C(C)C1.
What is the InChIKey of 1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine?
The InChIKey is NWOPEMWNJRHKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-8-16(5-4-11(9)14)12-6-10(2)15-7-13(12)17-3/h6-7,9,11H,4-5,8,14H2,1-3H3.
What are the key properties of 1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine?
1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-methyl-4-pyridinyl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 106660907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).