N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride

C27H36Cl2N4 — CID 162306694

IUPACN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride
SMILESCc1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1C.Cl.Cl
InChIInChI=1S/C27H34N4.2ClH/c1-22-9-8-12-26(23(22)2)31-19-17-30(18-20-31)16-7-6-14-28-27-21-25(13-15-29-27)24-10-4-3-5-11-24;;/h3-5,8-13,15,21H,6-7,14,16-20H2,1-2H3,(H,28,29);2*1H
InChIKeyFCEUVIZPBRTCPY-UHFFFAOYSA-N
MW487.52 g/mol
LogP6.22
Rot. Bonds8

About N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride

N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride (PubChem CID 162306694) has the molecular formula C27H36Cl2N4 and a molecular weight of 487.52 g/mol. Its IUPAC name is N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride
PubChem CID162306694
Molecular FormulaC27H36Cl2N4
Molecular Weight487.52 g/mol
Exact Mass486.23
IUPAC NameN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride
SMILESCc1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1C.Cl.Cl
InChIInChI=1S/C27H34N4.2ClH/c1-22-9-8-12-26(23(22)2)31-19-17-30(18-20-31)16-7-6-14-28-27-21-25(13-15-29-27)24-10-4-3-5-11-24;;/h3-5,8-13,15,21H,6-7,14,16-20H2,1-2H3,(H,28,29);2*1H
InChIKeyFCEUVIZPBRTCPY-UHFFFAOYSA-N
XLogP6.22
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.52
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine
CID 11633155
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine
CID 22998888
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]isoquinolin-1-amine;hydrobromide
CID 67631277
4-(4-methylphenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine
CID 71187765
N-[4-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]butyl]-4-(2-methylphenyl)pyridin-2-amine
CID 69245717
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-ethyl-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45279304
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide;hydrochloride
CID 21202821
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(2-fluorophenyl)-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 67495492
4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine
CID 11648823
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
CID 109174427
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methyl-1-(4-methylphenyl)-2-phenylimidazole-4-carboxamide
CID 67495094
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-4-amine
CID 112856883

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride?
The IUPAC name of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride (CID 162306694) is N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride.
What is the SMILES notation for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride?
The canonical SMILES for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride is Cc1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1C.Cl.Cl.
What is the InChIKey of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride?
The InChIKey is FCEUVIZPBRTCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4.2ClH/c1-22-9-8-12-26(23(22)2)31-19-17-30(18-20-31)16-7-6-14-28-27-21-25(13-15-29-27)24-10-4-3-5-11-24;;/h3-5,8-13,15,21H,6-7,14,16-20H2,1-2H3,(H,28,29);2*1H.
What are the key properties of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride?
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride has a molecular weight of 487.52 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride is sourced from PubChem (CID 162306694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).