2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine

C16H25N3 — CID 63178900

IUPAC2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine
SMILES[H]/N=C(\N1CCN(c2cccc(C)c2)CC1)C(C)(C)C
InChIInChI=1S/C16H25N3/c1-13-6-5-7-14(12-13)18-8-10-19(11-9-18)15(17)16(2,3)4/h5-7,12,17H,8-11H2,1-4H3/b17-15-
InChIKeyDFAAAMBKSPYCIK-ICFOKQHNSA-N
MW259.40 g/mol
LogP3.14
Rot. Bonds1

About 2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine

2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine (PubChem CID 63178900) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine
PubChem CID63178900
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine
SMILES[H]/N=C(\N1CCN(c2cccc(C)c2)CC1)C(C)(C)C
InChIInChI=1S/C16H25N3/c1-13-6-5-7-14(12-13)18-8-10-19(11-9-18)15(17)16(2,3)4/h5-7,12,17H,8-11H2,1-4H3/b17-15-
InChIKeyDFAAAMBKSPYCIK-ICFOKQHNSA-N
XLogP3.14
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-imine
CID 63178426
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24705538
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
4-[2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108961055
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 79813373
N-tert-butyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 113152890
2-(4-chlorophenyl)-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 113197535

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine?
The IUPAC name of 2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine (CID 63178900) is 2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine?
The canonical SMILES for 2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine is [H]/N=C(\N1CCN(c2cccc(C)c2)CC1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine?
The InChIKey is DFAAAMBKSPYCIK-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H25N3/c1-13-6-5-7-14(12-13)18-8-10-19(11-9-18)15(17)16(2,3)4/h5-7,12,17H,8-11H2,1-4H3/b17-15-.
What are the key properties of 2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine?
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine has a molecular weight of 259.40 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine is sourced from PubChem (CID 63178900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).