2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine

C16H19ClN4 — CID 104918654

IUPAC2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine
SMILESNc1cc(Cl)nc(N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C16H19ClN4/c17-15-10-14(18)11-16(19-15)21-8-6-20(7-9-21)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H2,18,19)
InChIKeyZHXAJZXSHSHUFM-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.64
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine

2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine (PubChem CID 104918654) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine
PubChem CID104918654
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine
SMILESNc1cc(Cl)nc(N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C16H19ClN4/c17-15-10-14(18)11-16(19-15)21-8-6-20(7-9-21)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H2,18,19)
InChIKeyZHXAJZXSHSHUFM-UHFFFAOYSA-N
XLogP2.64
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine
CID 104918666
2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine
CID 86161525
6-(4-benzylpiperazin-1-yl)pyrazin-2-amine
CID 78988890
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine
CID 104918819
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-[[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile
CID 31537774
2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 60726999
2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine
CID 66466862
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
2-[[4-(2,6-dichloropyrimidin-4-yl)piperazin-1-yl]methyl]phenol
CID 86668910

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine (CID 104918654) is 2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine is Nc1cc(Cl)nc(N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine?
The InChIKey is ZHXAJZXSHSHUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c17-15-10-14(18)11-16(19-15)21-8-6-20(7-9-21)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H2,18,19).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine?
2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine has a molecular weight of 302.81 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine is sourced from PubChem (CID 104918654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).