2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine

C17H30N4 — CID 62890361

IUPAC2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCCNCc1ccccc1N1CCN(CCN(C)C)CC1
InChIInChI=1S/C17H30N4/c1-4-18-15-16-7-5-6-8-17(16)21-13-11-20(12-14-21)10-9-19(2)3/h5-8,18H,4,9-15H2,1-3H3
InChIKeyVYBYNHRPGKHMQO-UHFFFAOYSA-N
MW290.46 g/mol
LogP1.48
Rot. Bonds7

About 2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 62890361) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID62890361
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCCNCc1ccccc1N1CCN(CCN(C)C)CC1
InChIInChI=1S/C17H30N4/c1-4-18-15-16-7-5-6-8-17(16)21-13-11-20(12-14-21)10-9-19(2)3/h5-8,18H,4,9-15H2,1-3H3
InChIKeyVYBYNHRPGKHMQO-UHFFFAOYSA-N
XLogP1.48
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
CID 43220494
N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 62369129
N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 62932460
1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone
CID 60699160
2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol
CID 63058807
N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63060169
1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81475046
2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine
CID 82163847
2-[4-[5-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
CID 114848526
2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
CID 114848529
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-propylpiperazin-1-yl)phenyl]methanamine
CID 84586533
2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 63059430

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine (CID 62890361) is 2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine is CCNCc1ccccc1N1CCN(CCN(C)C)CC1.
What is the InChIKey of 2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is VYBYNHRPGKHMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-18-15-16-7-5-6-8-17(16)21-13-11-20(12-14-21)10-9-19(2)3/h5-8,18H,4,9-15H2,1-3H3.
What are the key properties of 2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 290.46 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 62890361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).