5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine

C17H22N4 — CID 83970332

IUPAC5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine
SMILESCc1cc(N)ncc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H22N4/c1-14-11-17(18)19-12-16(14)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H2,18,19)
InChIKeyRQEJRZYOBMIZJU-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.29
Rot. Bonds3

About 5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine

5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine (PubChem CID 83970332) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine
PubChem CID83970332
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine
SMILESCc1cc(N)ncc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H22N4/c1-14-11-17(18)19-12-16(14)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H2,18,19)
InChIKeyRQEJRZYOBMIZJU-UHFFFAOYSA-N
XLogP2.29
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine
CID 130949923
2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline
CID 91672089
4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine
CID 80756967
4-(4-benzylpiperazin-1-yl)-6-chloro-2,3-dimethylaniline
CID 91672004
2-(4-benzylpiperazin-1-yl)-5-bromoaniline
CID 11544746
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848
4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline
CID 43840526
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
6-(4-benzylpiperazin-1-yl)pyrazin-2-amine
CID 78988890
4-(4-benzylpiperazin-1-yl)-3-methoxyaniline
CID 129452213
2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine
CID 86161525

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine (CID 83970332) is 5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine is Cc1cc(N)ncc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine?
The InChIKey is RQEJRZYOBMIZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-14-11-17(18)19-12-16(14)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H2,18,19).
What are the key properties of 5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine?
5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine is sourced from PubChem (CID 83970332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).