1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride

C15H22Cl2F2N2 — CID 171166930

IUPAC1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride
SMILESCCCC[C@@H](c1c(F)cc(Cl)cc1F)N1CCNCC1.Cl
InChIInChI=1S/C15H21ClF2N2.ClH/c1-2-3-4-14(20-7-5-19-6-8-20)15-12(17)9-11(16)10-13(15)18;/h9-10,14,19H,2-8H2,1H3;1H/t14-;/m0./s1
InChIKeyAFBTZKOOWRVZTN-UQKRIMTDSA-N
MW339.26 g/mol
LogP4.18
Rot. Bonds5

About 1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride

1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride (PubChem CID 171166930) has the molecular formula C15H22Cl2F2N2 and a molecular weight of 339.26 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride
PubChem CID171166930
Molecular FormulaC15H22Cl2F2N2
Molecular Weight339.26 g/mol
Exact Mass338.11
IUPAC Name1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride
SMILESCCCC[C@@H](c1c(F)cc(Cl)cc1F)N1CCNCC1.Cl
InChIInChI=1S/C15H21ClF2N2.ClH/c1-2-3-4-14(20-7-5-19-6-8-20)15-12(17)9-11(16)10-13(15)18;/h9-10,14,19H,2-8H2,1H3;1H/t14-;/m0./s1
InChIKeyAFBTZKOOWRVZTN-UQKRIMTDSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-chloro-3,6-difluorophenyl)pentyl]piperazine
CID 171166244
1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309043
1-[(1S)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride
CID 171167769
1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexyl]piperazine;hydrochloride
CID 171173084
1-[(1R)-1-(2-chloro-3,6-difluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308034
1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine
CID 171308919
1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine
CID 171169830
1-[(1S)-1-(2,6-difluoro-3-methylphenyl)pentyl]piperazine;hydrochloride
CID 171166670
1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride
CID 171172183
1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride
CID 171164078
1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
CID 171164586
1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride
CID 171308457

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride (CID 171166930) is 1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride is CCCC[C@@H](c1c(F)cc(Cl)cc1F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride?
The InChIKey is AFBTZKOOWRVZTN-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H21ClF2N2.ClH/c1-2-3-4-14(20-7-5-19-6-8-20)15-12(17)9-11(16)10-13(15)18;/h9-10,14,19H,2-8H2,1H3;1H/t14-;/m0./s1.
What are the key properties of 1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride?
1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride has a molecular weight of 339.26 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride is sourced from PubChem (CID 171166930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).