2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline

C19H25N3 — CID 91672089

IUPAC2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline
SMILESCc1cc(C)c(N)c(N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H25N3/c1-15-12-16(2)19(20)18(13-15)22-10-8-21(9-11-22)14-17-6-4-3-5-7-17/h3-7,12-13H,8-11,14,20H2,1-2H3
InChIKeySXPPGVPOWZVWLX-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.21
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline

2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline (PubChem CID 91672089) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline
PubChem CID91672089
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline
SMILESCc1cc(C)c(N)c(N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H25N3/c1-15-12-16(2)19(20)18(13-15)22-10-8-21(9-11-22)14-17-6-4-3-5-7-17/h3-7,12-13H,8-11,14,20H2,1-2H3
InChIKeySXPPGVPOWZVWLX-UHFFFAOYSA-N
XLogP3.21
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-benzylpiperazin-1-yl)-6-chloro-2,3-dimethylaniline
CID 91672004
5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine
CID 83970332
4-(4-benzylpiperazin-1-yl)-2-ethyl-6-methylaniline
CID 91671895
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide
CID 142643740
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-(4-benzylpiperazin-1-yl)-5-bromoaniline
CID 11544746
4-(4-benzylpiperazin-1-yl)-3-methoxyaniline
CID 129452213
1-benzyl-4-(2-butan-2-ylphenyl)piperazine
CID 143140326
4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine
CID 80756967
4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine
CID 130949923
1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)piperazine
CID 1377218

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline (CID 91672089) is 2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline is Cc1cc(C)c(N)c(N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline?
The InChIKey is SXPPGVPOWZVWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-15-12-16(2)19(20)18(13-15)22-10-8-21(9-11-22)14-17-6-4-3-5-7-17/h3-7,12-13H,8-11,14,20H2,1-2H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline?
2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline has a molecular weight of 295.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline is sourced from PubChem (CID 91672089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).