5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine

C19H26N4 — CID 120836846

IUPAC5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
SMILESCN(c1ccccc1)c1ccc(CN2CCCC(CN)C2)cn1
InChIInChI=1S/C19H26N4/c1-22(18-7-3-2-4-8-18)19-10-9-17(13-21-19)15-23-11-5-6-16(12-20)14-23/h2-4,7-10,13,16H,5-6,11-12,14-15,20H2,1H3
InChIKeyQFJHPPLFFYBOEV-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.02
Rot. Bonds5

About 5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine

5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine (PubChem CID 120836846) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
PubChem CID120836846
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
SMILESCN(c1ccccc1)c1ccc(CN2CCCC(CN)C2)cn1
InChIInChI=1S/C19H26N4/c1-22(18-7-3-2-4-8-18)19-10-9-17(13-21-19)15-23-11-5-6-16(12-20)14-23/h2-4,7-10,13,16H,5-6,11-12,14-15,20H2,1H3
InChIKeyQFJHPPLFFYBOEV-UHFFFAOYSA-N
XLogP3.02
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
CID 120837862
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
N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine
CID 120839030
[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine
CID 97165519
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120837821
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 120837689
5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120846227
5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843809
(1-benzylazepan-3-yl)methanamine
CID 15718476
4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline
CID 54793813
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine?
The IUPAC name of 5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine (CID 120836846) is 5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine.
What is the SMILES notation for 5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine?
The canonical SMILES for 5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine is CN(c1ccccc1)c1ccc(CN2CCCC(CN)C2)cn1.
What is the InChIKey of 5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine?
The InChIKey is QFJHPPLFFYBOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-22(18-7-3-2-4-8-18)19-10-9-17(13-21-19)15-23-11-5-6-16(12-20)14-23/h2-4,7-10,13,16H,5-6,11-12,14-15,20H2,1H3.
What are the key properties of 5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine?
5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine has a molecular weight of 310.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine is sourced from PubChem (CID 120836846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).