2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine;dihydrochloride

C20H28Cl3N3 — CID 21152795

IUPAC2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine;dihydrochloride
SMILESCl.Cl.Clc1ccc(CC(NCCN2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C20H26ClN3.2ClH/c21-19-8-6-17(7-9-19)16-20(18-4-2-1-3-5-18)23-12-15-24-13-10-22-11-14-24;;/h1-9,20,22-23H,10-16H2;2*1H
InChIKeyGPHJKJILWNOYPR-UHFFFAOYSA-N
MW416.82 g/mol
LogP3.96
Rot. Bonds7

About 2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine;dihydrochloride

2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine;dihydrochloride (PubChem CID 21152795) has the molecular formula C20H28Cl3N3 and a molecular weight of 416.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine;dihydrochloride
PubChem CID21152795
Molecular FormulaC20H28Cl3N3
Molecular Weight416.82 g/mol
Exact Mass415.13
IUPAC Name2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine;dihydrochloride
SMILESCl.Cl.Clc1ccc(CC(NCCN2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C20H26ClN3.2ClH/c21-19-8-6-17(7-9-19)16-20(18-4-2-1-3-5-18)23-12-15-24-13-10-22-11-14-24;;/h1-9,20,22-23H,10-16H2;2*1H
InChIKeyGPHJKJILWNOYPR-UHFFFAOYSA-N
XLogP3.96
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.82
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 21152796
1-phenyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 21152799
N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride
CID 70443145
(1R,2S)-1,2-diphenyl-2-(2-piperazin-1-ylethylamino)ethanol;2,2,2-trifluoroacetic acid
CID 167943256
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
N-benzyl-2-piperazin-1-ylethanamine
CID 14900561
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile
CID 62778213
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine
CID 63454308
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 43195497
3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392623
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine;dihydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine;dihydrochloride (CID 21152795) is 2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine;dihydrochloride is Cl.Cl.Clc1ccc(CC(NCCN2CCNCC2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine;dihydrochloride?
The InChIKey is GPHJKJILWNOYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3.2ClH/c21-19-8-6-17(7-9-19)16-20(18-4-2-1-3-5-18)23-12-15-24-13-10-22-11-14-24;;/h1-9,20,22-23H,10-16H2;2*1H.
What are the key properties of 2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine;dihydrochloride?
2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine;dihydrochloride has a molecular weight of 416.82 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-phenyl-N-(2-piperazin-1-ylethyl)ethanamine;dihydrochloride is sourced from PubChem (CID 21152795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).