5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine

C20H28N4O — CID 120843809

IUPAC5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
SMILESCOC1CCN(Cc2ccc(N(C)c3ccccc3)nc2)C(CN)C1
InChIInChI=1S/C20H28N4O/c1-23(17-6-4-3-5-7-17)20-9-8-16(14-22-20)15-24-11-10-19(25-2)12-18(24)13-21/h3-9,14,18-19H,10-13,15,21H2,1-2H3
InChIKeyYKTCNWQGPWFMIO-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.79
Rot. Bonds6

About 5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine

5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine (PubChem CID 120843809) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
PubChem CID120843809
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
SMILESCOC1CCN(Cc2ccc(N(C)c3ccccc3)nc2)C(CN)C1
InChIInChI=1S/C20H28N4O/c1-23(17-6-4-3-5-7-17)20-9-8-16(14-22-20)15-24-11-10-19(25-2)12-18(24)13-21/h3-9,14,18-19H,10-13,15,21H2,1-2H3
InChIKeyYKTCNWQGPWFMIO-UHFFFAOYSA-N
XLogP2.79
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine
CID 103438223
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
CID 120837862
5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120836846
5-(2-aminoethyl)-N-methyl-N-phenylpyridin-2-amine
CID 80633207
[1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120843737
5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843449
5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
CID 120843448
[4-methoxy-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-2-yl]methanamine
CID 115963149
N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride
CID 120839419
[1-[(4-bromo-3-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112621961
N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine
CID 120839030
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622518

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine?
The IUPAC name of 5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine (CID 120843809) is 5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine.
What is the SMILES notation for 5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine?
The canonical SMILES for 5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine is COC1CCN(Cc2ccc(N(C)c3ccccc3)nc2)C(CN)C1.
What is the InChIKey of 5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine?
The InChIKey is YKTCNWQGPWFMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-23(17-6-4-3-5-7-17)20-9-8-16(14-22-20)15-24-11-10-19(25-2)12-18(24)13-21/h3-9,14,18-19H,10-13,15,21H2,1-2H3.
What are the key properties of 5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine?
5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine has a molecular weight of 340.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine is sourced from PubChem (CID 120843809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).