1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride

C16H26ClFN2 — CID 171164078

IUPAC1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride
SMILESCCCC[C@@H](c1cc(C)ccc1F)N1CCNCC1.Cl
InChIInChI=1S/C16H25FN2.ClH/c1-3-4-5-16(19-10-8-18-9-11-19)14-12-13(2)6-7-15(14)17;/h6-7,12,16,18H,3-5,8-11H2,1-2H3;1H/t16-;/m0./s1
InChIKeyZUXZUJLMUJFGER-NTISSMGPSA-N
MW300.85 g/mol
LogP3.69
Rot. Bonds5

About 1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride

1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride (PubChem CID 171164078) has the molecular formula C16H26ClFN2 and a molecular weight of 300.85 g/mol. Its IUPAC name is 1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride
PubChem CID171164078
Molecular FormulaC16H26ClFN2
Molecular Weight300.85 g/mol
Exact Mass300.18
IUPAC Name1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride
SMILESCCCC[C@@H](c1cc(C)ccc1F)N1CCNCC1.Cl
InChIInChI=1S/C16H25FN2.ClH/c1-3-4-5-16(19-10-8-18-9-11-19)14-12-13(2)6-7-15(14)17;/h6-7,12,16,18H,3-5,8-11H2,1-2H3;1H/t16-;/m0./s1
InChIKeyZUXZUJLMUJFGER-NTISSMGPSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]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-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171307745
1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride
CID 171308457
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine;hydrochloride
CID 171182420
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine
CID 171182419
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825
1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine
CID 171166542
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308046
1-[(1S)-1-(2-bromo-4-methylphenyl)pentyl]piperazine
CID 171308887
1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride
CID 171166670
1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine
CID 171167852
1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171307766
1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride
CID 171166930

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride (CID 171164078) is 1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride is CCCC[C@@H](c1cc(C)ccc1F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride?
The InChIKey is ZUXZUJLMUJFGER-NTISSMGPSA-N. The full InChI is InChI=1S/C16H25FN2.ClH/c1-3-4-5-16(19-10-8-18-9-11-19)14-12-13(2)6-7-15(14)17;/h6-7,12,16,18H,3-5,8-11H2,1-2H3;1H/t16-;/m0./s1.
What are the key properties of 1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride?
1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride has a molecular weight of 300.85 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride is sourced from PubChem (CID 171164078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).