2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine

C16H27N3O2 — CID 79789474

IUPAC2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OCCN2CCCCC2)cn1
InChIInChI=1S/C16H27N3O2/c1-20-11-7-17-13-15-5-6-16(14-18-15)21-12-10-19-8-3-2-4-9-19/h5-6,14,17H,2-4,7-13H2,1H3
InChIKeyDBQRVUVCRDQHTA-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.68
Rot. Bonds9

About 2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine

2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 79789474) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID79789474
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OCCN2CCCCC2)cn1
InChIInChI=1S/C16H27N3O2/c1-20-11-7-17-13-15-5-6-16(14-18-15)21-12-10-19-8-3-2-4-9-19/h5-6,14,17H,2-4,7-13H2,1H3
InChIKeyDBQRVUVCRDQHTA-UHFFFAOYSA-N
XLogP1.68
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.68
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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Related Compounds

N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
CID 79776328
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782097
N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79793851
2-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]ethanamine
CID 79794826
6-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]hexan-1-ol
CID 107702731
2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708858
N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79793947
2-methoxy-N-[[5-(pyridin-4-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79794479
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79794829
N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine
CID 104796402
2-methoxy-N-[[5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79794476
cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 169111641

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine (CID 79789474) is 2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine is COCCNCc1ccc(OCCN2CCCCC2)cn1.
What is the InChIKey of 2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is DBQRVUVCRDQHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-20-11-7-17-13-15-5-6-16(14-18-15)21-12-10-19-8-3-2-4-9-19/h5-6,14,17H,2-4,7-13H2,1H3.
What are the key properties of 2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine?
2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 293.41 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79789474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).