6-(4-ethyl-4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

C17H29N3O — CID 63405995

IUPAC6-(4-ethyl-4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCCC1(C)CCN(c2ccc(N)c(OC(C)(C)C)n2)CC1
InChIInChI=1S/C17H29N3O/c1-6-17(5)9-11-20(12-10-17)14-8-7-13(18)15(19-14)21-16(2,3)4/h7-8H,6,9-12,18H2,1-5H3
InChIKeyROTFFUJQVPHRTE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.86
Rot. Bonds3

About 6-(4-ethyl-4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

6-(4-ethyl-4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (PubChem CID 63405995) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-(4-ethyl-4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.

Molecular Properties

Compound Name6-(4-ethyl-4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
PubChem CID63405995
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name6-(4-ethyl-4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCCC1(C)CCN(c2ccc(N)c(OC(C)(C)C)n2)CC1
InChIInChI=1S/C17H29N3O/c1-6-17(5)9-11-20(12-10-17)14-8-7-13(18)15(19-14)21-16(2,3)4/h7-8H,6,9-12,18H2,1-5H3
InChIKeyROTFFUJQVPHRTE-UHFFFAOYSA-N
XLogP3.86
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The IUPAC name of 6-(4-ethyl-4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (CID 63405995) is 6-(4-ethyl-4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.
What is the SMILES notation for 6-(4-ethyl-4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The canonical SMILES for 6-(4-ethyl-4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is CCC1(C)CCN(c2ccc(N)c(OC(C)(C)C)n2)CC1.
What is the InChIKey of 6-(4-ethyl-4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The InChIKey is ROTFFUJQVPHRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-17(5)9-11-20(12-10-17)14-8-7-13(18)15(19-14)21-16(2,3)4/h7-8H,6,9-12,18H2,1-5H3.
What are the key properties of 6-(4-ethyl-4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
6-(4-ethyl-4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine has a molecular weight of 291.44 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is sourced from PubChem (CID 63405995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).