4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline

C19H24ClN3 — CID 792560

IUPAC4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H24ClN3/c1-21(2)17-9-7-16(8-10-17)15-22-11-13-23(14-12-22)19-6-4-3-5-18(19)20/h3-10H,11-15H2,1-2H3
InChIKeyOCWPPXMDKKWARS-UHFFFAOYSA-N
MW329.88 g/mol
LogP3.73
Rot. Bonds4

About 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline

4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline (PubChem CID 792560) has the molecular formula C19H24ClN3 and a molecular weight of 329.88 g/mol. Its IUPAC name is 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
PubChem CID792560
Molecular FormulaC19H24ClN3
Molecular Weight329.88 g/mol
Exact Mass329.17
IUPAC Name4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H24ClN3/c1-21(2)17-9-7-16(8-10-17)15-22-11-13-23(14-12-22)19-6-4-3-5-18(19)20/h3-10H,11-15H2,1-2H3
InChIKeyOCWPPXMDKKWARS-UHFFFAOYSA-N
XLogP3.73
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.88
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline (CID 792560) is 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline is CN(C)c1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline?
The InChIKey is OCWPPXMDKKWARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3/c1-21(2)17-9-7-16(8-10-17)15-22-11-13-23(14-12-22)19-6-4-3-5-18(19)20/h3-10H,11-15H2,1-2H3.
What are the key properties of 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline?
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline has a molecular weight of 329.88 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 792560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).