N,N-dimethyl-4-piperazin-1-ylaniline

C12H19N3 — CID 4738754

IUPACN,N-dimethyl-4-piperazin-1-ylaniline
SMILESCN(C)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C12H19N3/c1-14(2)11-3-5-12(6-4-11)15-9-7-13-8-10-15/h3-6,13H,7-10H2,1-2H3
InChIKeyGRJIAPLFQXLDJJ-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.16
Rot. Bonds2

About N,N-dimethyl-4-piperazin-1-ylaniline

N,N-dimethyl-4-piperazin-1-ylaniline (PubChem CID 4738754) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N,N-dimethyl-4-piperazin-1-ylaniline.

Molecular Properties

Compound NameN,N-dimethyl-4-piperazin-1-ylaniline
PubChem CID4738754
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN,N-dimethyl-4-piperazin-1-ylaniline
SMILESCN(C)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C12H19N3/c1-14(2)11-3-5-12(6-4-11)15-9-7-13-8-10-15/h3-6,13H,7-10H2,1-2H3
InChIKeyGRJIAPLFQXLDJJ-UHFFFAOYSA-N
XLogP1.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
1-N,1-N,4-N-trimethyl-4-N-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]benzene-1,4-diamine
CID 101022137
N-methyl-N-[(4-piperazin-1-ylphenyl)methyl]propan-1-amine
CID 153390444
N,N,2-trimethyl-5-piperazin-1-ylaniline
CID 115378435
N,N-dimethyl-5-piperazin-1-ylpyridin-2-amine
CID 152925430
N-phenyl-N-(4-piperazin-1-ylphenyl)formamide
CID 57079014
bis(4-piperazin-1-ylphenyl)diazene
CID 25170712
1-(4-bromophenyl)piperazine;hydrochloride
CID 14422838
4-piperazin-1-ylphenol;dihydrobromide
CID 2723591
2-(dimethylamino)-2-[[4-[4-(dimethylamino)benzoyl]phenyl]methyl]-1-(4-piperazin-1-ylphenyl)butan-1-one
CID 153307367
3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride
CID 170749335
ethane;molecular hydrogen;1-phenylpiperazine
CID 144544571

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-piperazin-1-ylaniline?
The IUPAC name of N,N-dimethyl-4-piperazin-1-ylaniline (CID 4738754) is N,N-dimethyl-4-piperazin-1-ylaniline.
What is the SMILES notation for N,N-dimethyl-4-piperazin-1-ylaniline?
The canonical SMILES for N,N-dimethyl-4-piperazin-1-ylaniline is CN(C)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of N,N-dimethyl-4-piperazin-1-ylaniline?
The InChIKey is GRJIAPLFQXLDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-14(2)11-3-5-12(6-4-11)15-9-7-13-8-10-15/h3-6,13H,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-piperazin-1-ylaniline?
N,N-dimethyl-4-piperazin-1-ylaniline has a molecular weight of 205.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-piperazin-1-ylaniline is sourced from PubChem (CID 4738754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).