1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride

C15H23Cl2FN2 — CID 171164586

IUPAC1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
SMILESCCCC[C@@H](c1cc(F)ccc1Cl)N1CCNCC1.Cl
InChIInChI=1S/C15H22ClFN2.ClH/c1-2-3-4-15(19-9-7-18-8-10-19)13-11-12(17)5-6-14(13)16;/h5-6,11,15,18H,2-4,7-10H2,1H3;1H/t15-;/m0./s1
InChIKeyFPJACYBNRDPJEY-RSAXXLAASA-N
MW321.27 g/mol
LogP4.04
Rot. Bonds5

About 1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride

1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride (PubChem CID 171164586) has the molecular formula C15H23Cl2FN2 and a molecular weight of 321.27 g/mol. Its IUPAC name is 1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
PubChem CID171164586
Molecular FormulaC15H23Cl2FN2
Molecular Weight321.27 g/mol
Exact Mass320.12
IUPAC Name1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
SMILESCCCC[C@@H](c1cc(F)ccc1Cl)N1CCNCC1.Cl
InChIInChI=1S/C15H22ClFN2.ClH/c1-2-3-4-15(19-9-7-18-8-10-19)13-11-12(17)5-6-14(13)16;/h5-6,11,15,18H,2-4,7-10H2,1H3;1H/t15-;/m0./s1
InChIKeyFPJACYBNRDPJEY-RSAXXLAASA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-1-(2-chloro-5-fluorophenyl)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-chloro-4-fluorophenyl)pentyl]piperazine
CID 171169591
1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171307766
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309341
1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine
CID 171309037
1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine
CID 171163752
(4R)-4-(2-chloro-5-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171173625
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171164755
1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171166176
1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171289658
1-[(1S)-1-(5-bromo-2-chlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309040
1-[(1R)-1-(2-bromo-5-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171307633
1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine
CID 171164488

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride (CID 171164586) is 1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride is CCCC[C@@H](c1cc(F)ccc1Cl)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride?
The InChIKey is FPJACYBNRDPJEY-RSAXXLAASA-N. The full InChI is InChI=1S/C15H22ClFN2.ClH/c1-2-3-4-15(19-9-7-18-8-10-19)13-11-12(17)5-6-14(13)16;/h5-6,11,15,18H,2-4,7-10H2,1H3;1H/t15-;/m0./s1.
What are the key properties of 1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride?
1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride has a molecular weight of 321.27 g/mol, XLogP of 4.04, 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-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride is sourced from PubChem (CID 171164586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).