1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine

C19H25N3O — CID 84754657

IUPAC1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1cc(CNCc2ccccn2)ccc1N1CCCCC1
InChIInChI=1S/C19H25N3O/c1-23-19-13-16(14-20-15-17-7-3-4-10-21-17)8-9-18(19)22-11-5-2-6-12-22/h3-4,7-10,13,20H,2,5-6,11-12,14-15H2,1H3
InChIKeyNOZYBIMYBZCJGT-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.37
Rot. Bonds6

About 1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine

1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 84754657) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID84754657
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1cc(CNCc2ccccn2)ccc1N1CCCCC1
InChIInChI=1S/C19H25N3O/c1-23-19-13-16(14-20-15-17-7-3-4-10-21-17)8-9-18(19)22-11-5-2-6-12-22/h3-4,7-10,13,20H,2,5-6,11-12,14-15H2,1H3
InChIKeyNOZYBIMYBZCJGT-UHFFFAOYSA-N
XLogP3.37
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]propan-1-amine
CID 84754166
2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine
CID 84754658
1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 29223796
1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 29225975
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]cyclopropanamine
CID 84754178
N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84754664
1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 83962786
1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 84753629
1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 4720336
N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine
CID 84749663
1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892
2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol
CID 163366722

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine (CID 84754657) is 1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine is COc1cc(CNCc2ccccn2)ccc1N1CCCCC1.
What is the InChIKey of 1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is NOZYBIMYBZCJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-23-19-13-16(14-20-15-17-7-3-4-10-21-17)8-9-18(19)22-11-5-2-6-12-22/h3-4,7-10,13,20H,2,5-6,11-12,14-15H2,1H3.
What are the key properties of 1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine?
1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 311.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 84754657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).