1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride

C15H23BrClFN2 — CID 171163329

IUPAC1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
SMILESCC(C)C[C@@H](c1ccc(F)c(Br)c1)N1CCNCC1.Cl
InChIInChI=1S/C15H22BrFN2.ClH/c1-11(2)9-15(19-7-5-18-6-8-19)12-3-4-14(17)13(16)10-12;/h3-4,10-11,15,18H,5-9H2,1-2H3;1H/t15-;/m0./s1
InChIKeyKZCBBHDZXNKVIR-RSAXXLAASA-N
MW365.72 g/mol
LogP4.00
Rot. Bonds4

About 1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride

1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride (PubChem CID 171163329) has the molecular formula C15H23BrClFN2 and a molecular weight of 365.72 g/mol. Its IUPAC name is 1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
PubChem CID171163329
Molecular FormulaC15H23BrClFN2
Molecular Weight365.72 g/mol
Exact Mass364.07
IUPAC Name1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
SMILESCC(C)C[C@@H](c1ccc(F)c(Br)c1)N1CCNCC1.Cl
InChIInChI=1S/C15H22BrFN2.ClH/c1-11(2)9-15(19-7-5-18-6-8-19)12-3-4-14(17)13(16)10-12;/h3-4,10-11,15,18H,5-9H2,1-2H3;1H/t15-;/m0./s1
InChIKeyKZCBBHDZXNKVIR-RSAXXLAASA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.72
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride 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-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine
CID 82305169
1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274621
1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171168635
(3S)-3-(3-bromo-4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174200
1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171287262
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-3-methylbutyl]piperazine
CID 171278085
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595
1-[(1S)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutyl]piperazine
CID 171163352
1-[(1R)-1-(3-bromo-4-fluorophenyl)but-3-enyl]piperazine
CID 171168658
1-[(1R)-1-(3-bromo-2,6-difluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171170030
1-[1-(4-bromophenyl)-3-methylbutyl]piperazine
CID 82308912
1-[(1S)-1-(4-bromo-3-fluorophenyl)propyl]piperazine;dihydrochloride
CID 171275228

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride (CID 171163329) is 1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride is CC(C)C[C@@H](c1ccc(F)c(Br)c1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride?
The InChIKey is KZCBBHDZXNKVIR-RSAXXLAASA-N. The full InChI is InChI=1S/C15H22BrFN2.ClH/c1-11(2)9-15(19-7-5-18-6-8-19)12-3-4-14(17)13(16)10-12;/h3-4,10-11,15,18H,5-9H2,1-2H3;1H/t15-;/m0./s1.
What are the key properties of 1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride?
1-[(1S)-1-(3-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride has a molecular weight of 365.72 g/mol, XLogP of 4.00, 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-4-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride is sourced from PubChem (CID 171163329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).