1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride

C15H22BrCl2FN2 — CID 171287262

IUPAC1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc([C@@H](CC2CC2)N2CCNCC2)cc1Br
InChIInChI=1S/C15H20BrFN2.2ClH/c16-13-10-12(3-4-14(13)17)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-;;/m1../s1
InChIKeyBXEAQNNYBCPYTL-QCUBGVIVSA-N
MW400.16 g/mol
LogP4.18
Rot. Bonds4

About 1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride

1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride (PubChem CID 171287262) has the molecular formula C15H22BrCl2FN2 and a molecular weight of 400.16 g/mol. Its IUPAC name is 1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
PubChem CID171287262
Molecular FormulaC15H22BrCl2FN2
Molecular Weight400.16 g/mol
Exact Mass398.03
IUPAC Name1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc([C@@H](CC2CC2)N2CCNCC2)cc1Br
InChIInChI=1S/C15H20BrFN2.2ClH/c16-13-10-12(3-4-14(13)17)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-;;/m1../s1
InChIKeyBXEAQNNYBCPYTL-QCUBGVIVSA-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

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Related Compounds

1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168952
1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274621
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168859
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171163456
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2-fluorobenzonitrile;dihydrochloride
CID 171281020
(3S)-3-(3-bromo-4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174200
1-[(1R)-1-(3-bromo-4-fluorophenyl)but-3-enyl]piperazine
CID 171168658
1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171163329
1-[(1S)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutyl]piperazine
CID 171163352
1-[(1R)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine
CID 171168840
1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171163073

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride (CID 171287262) is 1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride is Cl.Cl.Fc1ccc([C@@H](CC2CC2)N2CCNCC2)cc1Br.
What is the InChIKey of 1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride?
The InChIKey is BXEAQNNYBCPYTL-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H20BrFN2.2ClH/c16-13-10-12(3-4-14(13)17)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-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-bromo-4-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-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171287262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).