4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline

C17H30N4 — CID 83977901

IUPAC4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline
SMILESCC1CN(C(CN(C)C)c2ccc(N(C)C)cc2)CCN1
InChIInChI=1S/C17H30N4/c1-14-12-21(11-10-18-14)17(13-19(2)3)15-6-8-16(9-7-15)20(4)5/h6-9,14,17-18H,10-13H2,1-5H3
InChIKeyLQYZVTCYNBVVTR-UHFFFAOYSA-N
MW290.46 g/mol
LogP1.65
Rot. Bonds5

About 4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline

4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline (PubChem CID 83977901) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline
PubChem CID83977901
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline
SMILESCC1CN(C(CN(C)C)c2ccc(N(C)C)cc2)CCN1
InChIInChI=1S/C17H30N4/c1-14-12-21(11-10-18-14)17(13-19(2)3)15-6-8-16(9-7-15)20(4)5/h6-9,14,17-18H,10-13H2,1-5H3
InChIKeyLQYZVTCYNBVVTR-UHFFFAOYSA-N
XLogP1.65
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978630
N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine
CID 83980043
2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83979287
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83978628
2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978693
1-[1-(4-chlorophenyl)-3-methylbutyl]-3-methylpiperazine;ethane
CID 176717104
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine
CID 176717060
2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978280
N-[2-(furan-2-yl)-2-(3-methylpiperazin-1-yl)ethyl]-N-propylpropan-1-amine
CID 83978838
1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978178
3-[(3S)-3-methylpiperazin-1-yl]-3-phenylpropanenitrile
CID 104976929

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline (CID 83977901) is 4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline is CC1CN(C(CN(C)C)c2ccc(N(C)C)cc2)CCN1.
What is the InChIKey of 4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline?
The InChIKey is LQYZVTCYNBVVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-14-12-21(11-10-18-14)17(13-19(2)3)15-6-8-16(9-7-15)20(4)5/h6-9,14,17-18H,10-13H2,1-5H3.
What are the key properties of 4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline?
4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline has a molecular weight of 290.46 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 83977901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).