N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline

C20H35N5 — CID 112539324

IUPACN,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline
SMILESCC1CNCCN1C(CN1CCN(C)CC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H35N5/c1-17-15-21-9-10-25(17)20(16-24-13-11-23(4)12-14-24)18-5-7-19(8-6-18)22(2)3/h5-8,17,20-21H,9-16H2,1-4H3
InChIKeyYWGXFGOAXPIGFJ-UHFFFAOYSA-N
MW345.54 g/mol
LogP1.33
Rot. Bonds5

About N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline

N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline (PubChem CID 112539324) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline
PubChem CID112539324
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC NameN,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline
SMILESCC1CNCCN1C(CN1CCN(C)CC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H35N5/c1-17-15-21-9-10-25(17)20(16-24-13-11-23(4)12-14-24)18-5-7-19(8-6-18)22(2)3/h5-8,17,20-21H,9-16H2,1-4H3
InChIKeyYWGXFGOAXPIGFJ-UHFFFAOYSA-N
XLogP1.33
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline
CID 83977914
N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83978741
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)ethanol
CID 83978231
2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
CID 112539318
1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine
CID 83978752
2-ethyl-1-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperazine
CID 83978388
[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 50999638
4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline
CID 82201882
N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 83979376
1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978178
(2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine
CID 10149558
1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
CID 112539500

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline (CID 112539324) is N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline is CC1CNCCN1C(CN1CCN(C)CC1)c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline?
The InChIKey is YWGXFGOAXPIGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5/c1-17-15-21-9-10-25(17)20(16-24-13-11-23(4)12-14-24)18-5-7-19(8-6-18)22(2)3/h5-8,17,20-21H,9-16H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline?
N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline has a molecular weight of 345.54 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 112539324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).