1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride

C15H22BrCl2FN2 — CID 171276706

IUPAC1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1c(Br)cccc1[C@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C15H20BrFN2.2ClH/c16-13-3-1-2-12(15(13)17)14(10-11-4-5-11)19-8-6-18-7-9-19;;/h1-3,11,14,18H,4-10H2;2*1H/t14-;;/m0../s1
InChIKeyVLOKCEVCWQXJLX-UTLKBRERSA-N
MW400.16 g/mol
LogP4.18
Rot. Bonds4

About 1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride

1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride (PubChem CID 171276706) has the molecular formula C15H22BrCl2FN2 and a molecular weight of 400.16 g/mol. Its IUPAC name is 1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
PubChem CID171276706
Molecular FormulaC15H22BrCl2FN2
Molecular Weight400.16 g/mol
Exact Mass398.03
IUPAC Name1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1c(Br)cccc1[C@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C15H20BrFN2.2ClH/c16-13-3-1-2-12(15(13)17)14(10-11-4-5-11)19-8-6-18-7-9-19;;/h1-3,11,14,18H,4-10H2;2*1H/t14-;;/m0../s1
InChIKeyVLOKCEVCWQXJLX-UTLKBRERSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.16
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;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-[(1R)-1-(3-bromo-2-fluorophenyl)-3,3-difluoropropyl]piperazine
CID 171175772
1-[(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171289332
1-[(1S)-1-(3-bromo-2-fluorophenyl)propyl]piperazine;dihydrochloride
CID 171276688
1-[(1S)-1-(3-bromo-2-fluorophenyl)but-3-enyl]piperazine
CID 171163917
1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171165589
1-[(1S)-1-(3-bromo-2-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171276705
3-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171287332
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine
CID 171169448
1-[(1S)-1-(5-bromo-2-fluoro-3-methylphenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171164566
1-[(1S)-1-(3-bromo-2-fluorophenyl)hexyl]piperazine;hydrochloride
CID 171163924
1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171163073
1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171289324

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride (CID 171276706) is 1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride is Cl.Cl.Fc1c(Br)cccc1[C@H](CC1CC1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride?
The InChIKey is VLOKCEVCWQXJLX-UTLKBRERSA-N. The full InChI is InChI=1S/C15H20BrFN2.2ClH/c16-13-3-1-2-12(15(13)17)14(10-11-4-5-11)19-8-6-18-7-9-19;;/h1-3,11,14,18H,4-10H2;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride?
1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride has a molecular weight of 400.16 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171276706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).