1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride

C17H25Cl2FN2 — CID 171169861

IUPAC1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride
SMILESC=CCCCC[C@H](c1cc(F)cc(Cl)c1)N1CCNCC1.Cl
InChIInChI=1S/C17H24ClFN2.ClH/c1-2-3-4-5-6-17(21-9-7-20-8-10-21)14-11-15(18)13-16(19)12-14;/h2,11-13,17,20H,1,3-10H2;1H/t17-;/m1./s1
InChIKeyHICZWYSPHYFMMU-UNTBIKODSA-N
MW347.31 g/mol
LogP4.59
Rot. Bonds7

About 1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride

1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride (PubChem CID 171169861) has the molecular formula C17H25Cl2FN2 and a molecular weight of 347.31 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride
PubChem CID171169861
Molecular FormulaC17H25Cl2FN2
Molecular Weight347.31 g/mol
Exact Mass346.14
IUPAC Name1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride
SMILESC=CCCCC[C@H](c1cc(F)cc(Cl)c1)N1CCNCC1.Cl
InChIInChI=1S/C17H24ClFN2.ClH/c1-2-3-4-5-6-17(21-9-7-20-8-10-21)14-11-15(18)13-16(19)12-14;/h2,11-13,17,20H,1,3-10H2;1H/t17-;/m1./s1
InChIKeyHICZWYSPHYFMMU-UNTBIKODSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(3,5-difluorophenyl)hept-6-enyl]piperazine
CID 171164418
1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine
CID 171169830
(3S)-3-(3-chloro-5-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174371
1-[(1R)-1-(4-fluorophenyl)hept-6-enyl]piperazine
CID 171168284
1-[(1S)-1-(3-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302675
1-[(1S)-1-(3-chloro-5-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171277333
1-[(1S)-1-(4-fluoro-3-methylphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171164195
1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine
CID 171310903
1-[(1S)-1-[4-(difluoromethoxy)phenyl]hept-6-enyl]piperazine
CID 171165023
1-[(1R)-1-(2,3,5-trifluorophenyl)hept-6-enyl]piperazine
CID 171170071
2-fluoro-4-[(1R)-1-piperazin-1-ylhept-6-enyl]phenol;hydrochloride
CID 171168203
1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine
CID 171169252

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride (CID 171169861) is 1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride is C=CCCCC[C@H](c1cc(F)cc(Cl)c1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride?
The InChIKey is HICZWYSPHYFMMU-UNTBIKODSA-N. The full InChI is InChI=1S/C17H24ClFN2.ClH/c1-2-3-4-5-6-17(21-9-7-20-8-10-21)14-11-15(18)13-16(19)12-14;/h2,11-13,17,20H,1,3-10H2;1H/t17-;/m1./s1.
What are the key properties of 1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride?
1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride has a molecular weight of 347.31 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride is sourced from PubChem (CID 171169861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).