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

C14H22Cl4N2 — CID 171281865

IUPAC1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@@H](c1ccc(Cl)cc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H20Cl2N2.2ClH/c1-2-3-14(18-8-6-17-7-9-18)12-5-4-11(15)10-13(12)16;;/h4-5,10,14,17H,2-3,6-9H2,1H3;2*1H/t14-;;/m0../s1
InChIKeyFIGXWQZCFIHHLK-UTLKBRERSA-N
MW360.16 g/mol
LogP4.58
Rot. Bonds4

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

1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride (PubChem CID 171281865) has the molecular formula C14H22Cl4N2 and a molecular weight of 360.16 g/mol. Its IUPAC name is 1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride
PubChem CID171281865
Molecular FormulaC14H22Cl4N2
Molecular Weight360.16 g/mol
Exact Mass358.05
IUPAC Name1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@@H](c1ccc(Cl)cc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H20Cl2N2.2ClH/c1-2-3-14(18-8-6-17-7-9-18)12-5-4-11(15)10-13(12)16;;/h4-5,10,14,17H,2-3,6-9H2,1H3;2*1H/t14-;;/m0../s1
InChIKeyFIGXWQZCFIHHLK-UTLKBRERSA-N
XLogP4.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,4-dichlorophenyl)pentyl]piperazine
CID 5226884
1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171289658
1-[(1S)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171281867
1-[(1S)-1-(2,4-dichlorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303036
1-[(1S)-1-(5-chloro-2-nitrophenyl)butyl]piperazine;dihydrochloride
CID 171278413
1-[(1R)-1-(3-chloro-4-pyridinyl)butyl]piperazine;dihydrochloride
CID 171285648
1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride
CID 171168852
1-[(1R)-2-cyclopropyl-1-(2,4-dichlorophenyl)ethyl]piperazine
CID 171294486
1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine
CID 171169591
1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine
CID 171170223
1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289236
4-chloro-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307229

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride (CID 171281865) is 1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride is CCC[C@@H](c1ccc(Cl)cc1Cl)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride?
The InChIKey is FIGXWQZCFIHHLK-UTLKBRERSA-N. The full InChI is InChI=1S/C14H20Cl2N2.2ClH/c1-2-3-14(18-8-6-17-7-9-18)12-5-4-11(15)10-13(12)16;;/h4-5,10,14,17H,2-3,6-9H2,1H3;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride?
1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride has a molecular weight of 360.16 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)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171281865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).