1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride

C15H22Cl4N2 — CID 171281867

IUPAC1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@H](CC2CC2)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2.2ClH/c16-12-3-4-13(14(17)10-12)15(9-11-1-2-11)19-7-5-18-6-8-19;;/h3-4,10-11,15,18H,1-2,5-9H2;2*1H/t15-;;/m0../s1
InChIKeyQFZDHOYQAGEYTP-CKUXDGONSA-N
MW372.17 g/mol
LogP4.58
Rot. Bonds4

About 1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride

1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171281867) has the molecular formula C15H22Cl4N2 and a molecular weight of 372.17 g/mol. Its IUPAC name is 1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride
PubChem CID171281867
Molecular FormulaC15H22Cl4N2
Molecular Weight372.17 g/mol
Exact Mass370.05
IUPAC Name1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@H](CC2CC2)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2.2ClH/c16-12-3-4-13(14(17)10-12)15(9-11-1-2-11)19-7-5-18-6-8-19;;/h3-4,10-11,15,18H,1-2,5-9H2;2*1H/t15-;;/m0../s1
InChIKeyQFZDHOYQAGEYTP-CKUXDGONSA-N
XLogP4.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.17
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine
CID 171294486
1-[(1R)-1-(5-chloro-2-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171169090
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-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride
CID 171294553
4-chloro-2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]aniline
CID 171295504
2-chloro-6-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3-fluorophenol;dihydrochloride
CID 171297826
1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride
CID 171281865
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168859
1-[(1S)-1-(2,4-dichlorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303036
1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171164206
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171163456

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride (CID 171281867) is 1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride is Cl.Cl.Clc1ccc([C@H](CC2CC2)N2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is QFZDHOYQAGEYTP-CKUXDGONSA-N. The full InChI is InChI=1S/C15H20Cl2N2.2ClH/c16-12-3-4-13(14(17)10-12)15(9-11-1-2-11)19-7-5-18-6-8-19;;/h3-4,10-11,15,18H,1-2,5-9H2;2*1H/t15-;;/m0../s1.
What are the key properties of 1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride?
1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 372.17 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171281867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).