2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride

C23H34Cl2N4O — CID 120872205

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.NCCN(CCc1ccccc1)CC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H32N4O.2ClH/c24-12-14-25(13-11-21-7-3-1-4-8-21)20-23(28)27-17-15-26(16-18-27)19-22-9-5-2-6-10-22;;/h1-10H,11-20,24H2;2*1H
InChIKeyPLRZBPNJRIODKS-UHFFFAOYSA-N
MW453.46 g/mol
LogP2.68
Rot. Bonds9

About 2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride

2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride (PubChem CID 120872205) has the molecular formula C23H34Cl2N4O and a molecular weight of 453.46 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
PubChem CID120872205
Molecular FormulaC23H34Cl2N4O
Molecular Weight453.46 g/mol
Exact Mass452.21
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.NCCN(CCc1ccccc1)CC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H32N4O.2ClH/c24-12-14-25(13-11-21-7-3-1-4-8-21)20-23(28)27-17-15-26(16-18-27)19-22-9-5-2-6-10-22;;/h1-10H,11-20,24H2;2*1H
InChIKeyPLRZBPNJRIODKS-UHFFFAOYSA-N
XLogP2.68
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 120872372
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide
CID 3354978
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone
CID 143109994
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 42699656
2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride
CID 120871888
1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone
CID 100785212
2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 55827974
1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone
CID 111121802
2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 120872121
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride (CID 120872205) is 2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride is Cl.Cl.NCCN(CCc1ccccc1)CC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride?
The InChIKey is PLRZBPNJRIODKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O.2ClH/c24-12-14-25(13-11-21-7-3-1-4-8-21)20-23(28)27-17-15-26(16-18-27)19-22-9-5-2-6-10-22;;/h1-10H,11-20,24H2;2*1H.
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride?
2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride has a molecular weight of 453.46 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 120872205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).