3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine

C15H23Cl2N3 — CID 54767239

IUPAC3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
SMILESCN(C)CCC(c1ccc(Cl)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C15H23Cl2N3/c1-19(2)8-5-15(20-9-6-18-7-10-20)12-3-4-13(16)14(17)11-12/h3-4,11,15,18H,5-10H2,1-2H3
InChIKeySWFPZMNSOVHJBG-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.89
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine

3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine (PubChem CID 54767239) has the molecular formula C15H23Cl2N3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
PubChem CID54767239
Molecular FormulaC15H23Cl2N3
Molecular Weight316.28 g/mol
Exact Mass315.13
IUPAC Name3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
SMILESCN(C)CCC(c1ccc(Cl)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C15H23Cl2N3/c1-19(2)8-5-15(20-9-6-18-7-10-20)12-3-4-13(16)14(17)11-12/h3-4,11,15,18H,5-10H2,1-2H3
InChIKeySWFPZMNSOVHJBG-UHFFFAOYSA-N
XLogP2.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Norchlorcyclizine
CID 9340
N1-(2-(3,4-Dichlorophenyl)ethyl)-N1,N2,N2-trimethyl-1,2-ethanediamine
CID 188914
1-(2-(3,4-Dichlorophenyl)ethyl)-4-methylpiperazine
CID 574780
1-(3-Chlorobenzyl)piperazine
CID 764727
(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
CID 16102764
1-[2-(3,4-Dichlorophenyl)ethyl]-4-propylpiperazine
CID 587944
Piperazine, 1-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)
CID 20437422
1-[Bis(4-chlorophenyl)methyl]piperazine
CID 285510
Norchlorcyclizine, (-)-
CID 668697
1-(2-(3,4-Dichlorophenyl)ethyl)piperazine
CID 44314387
BD 1063 Dihydrochloride
CID 11617161
1-(2-(3-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414720

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine (CID 54767239) is 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine is CN(C)CCC(c1ccc(Cl)c(Cl)c1)N1CCNCC1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine?
The InChIKey is SWFPZMNSOVHJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3/c1-19(2)8-5-15(20-9-6-18-7-10-20)12-3-4-13(16)14(17)11-12/h3-4,11,15,18H,5-10H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine?
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine has a molecular weight of 316.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 54767239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).