N'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride

C24H37ClN4 — CID 120912557

IUPACN'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCN1CCC(N(C)c2ccccc2CN(CCN)CCc2ccccc2)CC1.Cl
InChIInChI=1S/C24H36N4.ClH/c1-26-16-13-23(14-17-26)27(2)24-11-7-6-10-22(24)20-28(19-15-25)18-12-21-8-4-3-5-9-21;/h3-11,23H,12-20,25H2,1-2H3;1H
InChIKeyRAPSEAALDBXXGO-UHFFFAOYSA-N
MW417.04 g/mol
LogP3.64
Rot. Bonds9

About N'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride

N'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride (PubChem CID 120912557) has the molecular formula C24H37ClN4 and a molecular weight of 417.04 g/mol. Its IUPAC name is N'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
PubChem CID120912557
Molecular FormulaC24H37ClN4
Molecular Weight417.04 g/mol
Exact Mass416.27
IUPAC NameN'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCN1CCC(N(C)c2ccccc2CN(CCN)CCc2ccccc2)CC1.Cl
InChIInChI=1S/C24H36N4.ClH/c1-26-16-13-23(14-17-26)27(2)24-11-7-6-10-22(24)20-28(19-15-25)18-12-21-8-4-3-5-9-21;/h3-11,23H,12-20,25H2,1-2H3;1H
InChIKeyRAPSEAALDBXXGO-UHFFFAOYSA-N
XLogP3.64
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.04
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride with MolForge

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Related Compounds

N-[2-(2-aminoethyl)phenyl]-N,1-dimethylpiperidin-4-amine
CID 63782695
N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine
CID 110454576
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120913021
N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120913004
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
CID 120885911
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872284
N'-(cyclobutylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120872591
N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871833
4-benzyl-1-methylpiperidine;ethane
CID 142009767
2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride
CID 120872403
N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120913006
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride (CID 120912557) is N'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride is CN1CCC(N(C)c2ccccc2CN(CCN)CCc2ccccc2)CC1.Cl.
What is the InChIKey of N'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is RAPSEAALDBXXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4.ClH/c1-26-16-13-23(14-17-26)27(2)24-11-7-6-10-22(24)20-28(19-15-25)18-12-21-8-4-3-5-9-21;/h3-11,23H,12-20,25H2,1-2H3;1H.
What are the key properties of N'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
N'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 417.04 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120912557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).