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

C14H22Cl3FN2 — CID 171289658

IUPAC1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccc(F)cc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H20ClFN2.2ClH/c1-2-3-14(18-8-6-17-7-9-18)12-5-4-11(16)10-13(12)15;;/h4-5,10,14,17H,2-3,6-9H2,1H3;2*1H/t14-;;/m1../s1
InChIKeyNIUNUASZUMSVHA-FMOMHUKBSA-N
MW343.70 g/mol
LogP4.07
Rot. Bonds4

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

1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride (PubChem CID 171289658) has the molecular formula C14H22Cl3FN2 and a molecular weight of 343.70 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride
PubChem CID171289658
Molecular FormulaC14H22Cl3FN2
Molecular Weight343.70 g/mol
Exact Mass342.08
IUPAC Name1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccc(F)cc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H20ClFN2.2ClH/c1-2-3-14(18-8-6-17-7-9-18)12-5-4-11(16)10-13(12)15;;/h4-5,10,14,17H,2-3,6-9H2,1H3;2*1H/t14-;;/m1../s1
InChIKeyNIUNUASZUMSVHA-FMOMHUKBSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.70
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine
CID 171169591
1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride
CID 171281865
1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171287499
1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
CID 171164586
(4R)-4-(2-chloro-4-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171173584
1-[(1S)-1-(2-bromo-4-fluorophenyl)butyl]piperazine
CID 171163371
1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine
CID 171168887
2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol
CID 114064745
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166024
1-[(1S)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171277022
1-[(1R)-1-(2-bromo-5-fluorophenyl)butyl]piperazine
CID 171169151
1-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171171513

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride (CID 171289658) is 1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride is CCC[C@H](c1ccc(F)cc1Cl)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride?
The InChIKey is NIUNUASZUMSVHA-FMOMHUKBSA-N. The full InChI is InChI=1S/C14H20ClFN2.2ClH/c1-2-3-14(18-8-6-17-7-9-18)12-5-4-11(16)10-13(12)15;;/h4-5,10,14,17H,2-3,6-9H2,1H3;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride has a molecular weight of 343.70 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171289658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).