N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine

C20H28N4 — CID 120839030

IUPACN-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine
SMILESCNCC1CCN(Cc2ccc(N(C)c3ccccc3)nc2)CC1
InChIInChI=1S/C20H28N4/c1-21-14-17-10-12-24(13-11-17)16-18-8-9-20(22-15-18)23(2)19-6-4-3-5-7-19/h3-9,15,17,21H,10-14,16H2,1-2H3
InChIKeyPRIDOCYXFYKBPV-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.28
Rot. Bonds6

About N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine

N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine (PubChem CID 120839030) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine
PubChem CID120839030
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC NameN-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine
SMILESCNCC1CCN(Cc2ccc(N(C)c3ccccc3)nc2)CC1
InChIInChI=1S/C20H28N4/c1-21-14-17-10-12-24(13-11-17)16-18-8-9-20(22-15-18)23(2)19-6-4-3-5-7-19/h3-9,15,17,21H,10-14,16H2,1-2H3
InChIKeyPRIDOCYXFYKBPV-UHFFFAOYSA-N
XLogP3.28
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.28
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-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120836846
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
5-[(cyclopropylamino)methyl]-N-methyl-N-phenylpyridin-2-amine
CID 62285256
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922484
N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120839700
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride
CID 120839419
1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805
5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843809
5-(2-aminoethyl)-N-methyl-N-phenylpyridin-2-amine
CID 80633207

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine?
The IUPAC name of N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine (CID 120839030) is N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine.
What is the SMILES notation for N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine?
The canonical SMILES for N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine is CNCC1CCN(Cc2ccc(N(C)c3ccccc3)nc2)CC1.
What is the InChIKey of N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine?
The InChIKey is PRIDOCYXFYKBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-21-14-17-10-12-24(13-11-17)16-18-8-9-20(22-15-18)23(2)19-6-4-3-5-7-19/h3-9,15,17,21H,10-14,16H2,1-2H3.
What are the key properties of N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine?
N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine has a molecular weight of 324.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 120839030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).