2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine

C21H29N3O — CID 119111242

IUPAC2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCC1CCCCN1CCNCc1ccccc1OCc1cccnc1
InChIInChI=1S/C21H29N3O/c1-18-7-4-5-13-24(18)14-12-23-16-20-9-2-3-10-21(20)25-17-19-8-6-11-22-15-19/h2-3,6,8-11,15,18,23H,4-5,7,12-14,16-17H2,1H3
InChIKeyPSSIAQWSSJFPLT-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.62
Rot. Bonds8

About 2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine

2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 119111242) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID119111242
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCC1CCCCN1CCNCc1ccccc1OCc1cccnc1
InChIInChI=1S/C21H29N3O/c1-18-7-4-5-13-24(18)14-12-23-16-20-9-2-3-10-21(20)25-17-19-8-6-11-22-15-19/h2-3,6,8-11,15,18,23H,4-5,7,12-14,16-17H2,1H3
InChIKeyPSSIAQWSSJFPLT-UHFFFAOYSA-N
XLogP3.62
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine with MolForge

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Related Compounds

1-[(2R)-1-methylpyrrolidin-2-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 124684778
1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 119125973
1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol
CID 119111975
2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
CID 111421639
3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol
CID 110929258
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 79920744
2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 115656614
[1-methyl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]cyclopentyl]methanol
CID 111468974
2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 119111201
1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 47631270
3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
CID 111422039
3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine
CID 7337527

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine (CID 119111242) is 2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine is CC1CCCCN1CCNCc1ccccc1OCc1cccnc1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is PSSIAQWSSJFPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-18-7-4-5-13-24(18)14-12-23-16-20-9-2-3-10-21(20)25-17-19-8-6-11-22-15-19/h2-3,6,8-11,15,18,23H,4-5,7,12-14,16-17H2,1H3.
What are the key properties of 2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine?
2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 339.48 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 119111242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).