3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride

C17H28Cl3N3 — CID 171294553

IUPAC3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride
SMILESCN(C)c1ccc([C@@H](CC2CC2)N2CCNCC2)c(Cl)c1.Cl.Cl
InChIInChI=1S/C17H26ClN3.2ClH/c1-20(2)14-5-6-15(16(18)12-14)17(11-13-3-4-13)21-9-7-19-8-10-21;;/h5-6,12-13,17,19H,3-4,7-11H2,1-2H3;2*1H/t17-;;/m1../s1
InChIKeyCACDEFWIJMJGCI-ZEECNFPPSA-N
MW380.79 g/mol
LogP4.00
Rot. Bonds5

About 3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride

3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride (PubChem CID 171294553) has the molecular formula C17H28Cl3N3 and a molecular weight of 380.79 g/mol. Its IUPAC name is 3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride.

Molecular Properties

Compound Name3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride
PubChem CID171294553
Molecular FormulaC17H28Cl3N3
Molecular Weight380.79 g/mol
Exact Mass379.13
IUPAC Name3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride
SMILESCN(C)c1ccc([C@@H](CC2CC2)N2CCNCC2)c(Cl)c1.Cl.Cl
InChIInChI=1S/C17H26ClN3.2ClH/c1-20(2)14-5-6-15(16(18)12-14)17(11-13-3-4-13)21-9-7-19-8-10-21;;/h5-6,12-13,17,19H,3-4,7-11H2,1-2H3;2*1H/t17-;;/m1../s1
InChIKeyCACDEFWIJMJGCI-ZEECNFPPSA-N
XLogP4.00
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.79
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171281867
1-[(1R)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine
CID 171294486
3-chloro-N,N-dimethyl-4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]aniline;dihydrochloride
CID 171304007
3-chloro-N,N-dimethyl-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]aniline
CID 171304008
3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline
CID 171308229
3-chloro-N,N-dimethyl-4-[(1S)-1-piperazin-1-ylpentyl]aniline
CID 171309527
1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171169090
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-5-(diethylamino)phenol;dihydrochloride
CID 171272322
1-[(1R)-2-cyclopropyl-1-(2,3,5-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171295322
1-[(1S)-2-cyclopropyl-1-(2,3,5-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171282702
3-chloro-N,N-dimethyl-4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]aniline
CID 171294528
4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline
CID 171212628

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride?
The IUPAC name of 3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride (CID 171294553) is 3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride.
What is the SMILES notation for 3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride?
The canonical SMILES for 3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride is CN(C)c1ccc([C@@H](CC2CC2)N2CCNCC2)c(Cl)c1.Cl.Cl.
What is the InChIKey of 3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride?
The InChIKey is CACDEFWIJMJGCI-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H26ClN3.2ClH/c1-20(2)14-5-6-15(16(18)12-14)17(11-13-3-4-13)21-9-7-19-8-10-21;;/h5-6,12-13,17,19H,3-4,7-11H2,1-2H3;2*1H/t17-;;/m1../s1.
What are the key properties of 3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride?
3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride has a molecular weight of 380.79 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride is sourced from PubChem (CID 171294553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).