4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline

C18H32N4 — CID 83977871

IUPAC4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline
SMILESCCCN1CCN(C(CN)c2ccc(N(C)C)cc2)CC1C
InChIInChI=1S/C18H32N4/c1-5-10-21-11-12-22(14-15(21)2)18(13-19)16-6-8-17(9-7-16)20(3)4/h6-9,15,18H,5,10-14,19H2,1-4H3
InChIKeyBNNZLBIDFZBYFL-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.17
Rot. Bonds6

About 4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline

4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline (PubChem CID 83977871) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline
PubChem CID83977871
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline
SMILESCCCN1CCN(C(CN)c2ccc(N(C)C)cc2)CC1C
InChIInChI=1S/C18H32N4/c1-5-10-21-11-12-22(14-15(21)2)18(13-19)16-6-8-17(9-7-16)20(3)4/h6-9,15,18H,5,10-14,19H2,1-4H3
InChIKeyBNNZLBIDFZBYFL-UHFFFAOYSA-N
XLogP2.17
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.17
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-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine
CID 83978033
4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline
CID 16642839
1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol
CID 82020204
2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605366
4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline
CID 63157411
2-(3,4-dimethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 63605581
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605201
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 63605596
2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
CID 112539318
2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537191
2-(5-chloro-2-fluorophenyl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 114843181
2-(4,5-dibromothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 102839249

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline (CID 83977871) is 4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline is CCCN1CCN(C(CN)c2ccc(N(C)C)cc2)CC1C.
What is the InChIKey of 4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline?
The InChIKey is BNNZLBIDFZBYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-5-10-21-11-12-22(14-15(21)2)18(13-19)16-6-8-17(9-7-16)20(3)4/h6-9,15,18H,5,10-14,19H2,1-4H3.
What are the key properties of 4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline?
4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline has a molecular weight of 304.48 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(3-methyl-4-propylpiperazin-1-yl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 83977871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).