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

C20H27N3O — CID 119125973

IUPAC1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
SMILESCN1CCCC(CNCc2ccccc2OCc2cccnc2)C1
InChIInChI=1S/C20H27N3O/c1-23-11-5-7-17(15-23)12-22-14-19-8-2-3-9-20(19)24-16-18-6-4-10-21-13-18/h2-4,6,8-10,13,17,22H,5,7,11-12,14-16H2,1H3
InChIKeyGFHNUJRFPHMWPS-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.09
Rot. Bonds7

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

1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine (PubChem CID 119125973) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
PubChem CID119125973
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
SMILESCN1CCCC(CNCc2ccccc2OCc2cccnc2)C1
InChIInChI=1S/C20H27N3O/c1-23-11-5-7-17(15-23)12-22-14-19-8-2-3-9-20(19)24-16-18-6-4-10-21-13-18/h2-4,6,8-10,13,17,22H,5,7,11-12,14-16H2,1H3
InChIKeyGFHNUJRFPHMWPS-UHFFFAOYSA-N
XLogP3.09
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-1-methylpyrrolidin-2-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 124684778
1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 47631270
2-(2-methylpiperidin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 119111242
1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol
CID 119111975
2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
CID 111421639
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 120963153
3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol
CID 110929258
3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
CID 111422039
[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-methylpiperidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine
CID 62658500
2-ethyl-2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]butanoic acid
CID 122129096

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine (CID 119125973) is 1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine is CN1CCCC(CNCc2ccccc2OCc2cccnc2)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine?
The InChIKey is GFHNUJRFPHMWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-23-11-5-7-17(15-23)12-22-14-19-8-2-3-9-20(19)24-16-18-6-4-10-21-13-18/h2-4,6,8-10,13,17,22H,5,7,11-12,14-16H2,1H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine?
1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine has a molecular weight of 325.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 119125973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).