6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine

C16H27N3O2 — CID 43688309

IUPAC6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine
SMILESCOCCOc1ccc(NC(C)C2CCN(C)CC2)cn1
InChIInChI=1S/C16H27N3O2/c1-13(14-6-8-19(2)9-7-14)18-15-4-5-16(17-12-15)21-11-10-20-3/h4-5,12-14,18H,6-11H2,1-3H3
InChIKeyAPUNJYAXNGDVHO-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.25
Rot. Bonds7

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

6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine (PubChem CID 43688309) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine
PubChem CID43688309
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine
SMILESCOCCOc1ccc(NC(C)C2CCN(C)CC2)cn1
InChIInChI=1S/C16H27N3O2/c1-13(14-6-8-19(2)9-7-14)18-15-4-5-16(17-12-15)21-11-10-20-3/h4-5,12-14,18H,6-11H2,1-3H3
InChIKeyAPUNJYAXNGDVHO-UHFFFAOYSA-N
XLogP2.25
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine?
The IUPAC name of 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine (CID 43688309) is 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine is COCCOc1ccc(NC(C)C2CCN(C)CC2)cn1.
What is the InChIKey of 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine?
The InChIKey is APUNJYAXNGDVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(14-6-8-19(2)9-7-14)18-15-4-5-16(17-12-15)21-11-10-20-3/h4-5,12-14,18H,6-11H2,1-3H3.
What are the key properties of 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine?
6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine has a molecular weight of 293.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 43688309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).