1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride

C15H24Cl3FN2 — CID 171304375

IUPAC1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
SMILESCCC(C)[C@H](c1ccc(F)c(Cl)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22ClFN2.2ClH/c1-3-11(2)15(19-8-6-18-7-9-19)12-4-5-14(17)13(16)10-12;;/h4-5,10-11,15,18H,3,6-9H2,1-2H3;2*1H/t11?,15-;;/m1../s1
InChIKeyNLECMMJKMAKDOI-JYBLBTNZSA-N
MW357.73 g/mol
LogP4.32
Rot. Bonds4

About 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride

1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride (PubChem CID 171304375) has the molecular formula C15H24Cl3FN2 and a molecular weight of 357.73 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
PubChem CID171304375
Molecular FormulaC15H24Cl3FN2
Molecular Weight357.73 g/mol
Exact Mass356.10
IUPAC Name1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
SMILESCCC(C)[C@H](c1ccc(F)c(Cl)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22ClFN2.2ClH/c1-3-11(2)15(19-8-6-18-7-9-19)12-4-5-14(17)13(16)10-12;;/h4-5,10-11,15,18H,3,6-9H2,1-2H3;2*1H/t11?,15-;;/m1../s1
InChIKeyNLECMMJKMAKDOI-JYBLBTNZSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.73
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine
CID 171168893
1-[(1R)-1-(4-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304499
1-[(1S)-1-(3-chloro-4-fluorophenyl)propyl]piperazine
CID 96664875
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304379
1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine
CID 61057488
1-[(1S)-1-(3-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305039
1-[(1S)-1-(4-chloro-3-nitrophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305349
1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride
CID 171168852
1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine
CID 171305268
1-[(1S)-1-(3,4-dibromophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305673
1-[(1S)-2-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine;dihydrochloride
CID 171305299
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274950

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride (CID 171304375) is 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride is CCC(C)[C@H](c1ccc(F)c(Cl)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride?
The InChIKey is NLECMMJKMAKDOI-JYBLBTNZSA-N. The full InChI is InChI=1S/C15H22ClFN2.2ClH/c1-3-11(2)15(19-8-6-18-7-9-19)12-4-5-14(17)13(16)10-12;;/h4-5,10-11,15,18H,3,6-9H2,1-2H3;2*1H/t11?,15-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride has a molecular weight of 357.73 g/mol, XLogP of 4.32, 4 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-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride is sourced from PubChem (CID 171304375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).