1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride

C12H19Cl2FN2 — CID 171282898

IUPAC1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC[C@@H](c1ccccc1)N1CCNCC1
InChIInChI=1S/C12H17FN2.2ClH/c13-10-12(11-4-2-1-3-5-11)15-8-6-14-7-9-15;;/h1-5,12,14H,6-10H2;2*1H/t12-;;/m0../s1
InChIKeyRKGNDPCSEBIXGC-LTCKWSDVSA-N
MW281.20 g/mol
LogP2.45
Rot. Bonds3

About 1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride

1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride (PubChem CID 171282898) has the molecular formula C12H19Cl2FN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
PubChem CID171282898
Molecular FormulaC12H19Cl2FN2
Molecular Weight281.20 g/mol
Exact Mass280.09
IUPAC Name1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC[C@@H](c1ccccc1)N1CCNCC1
InChIInChI=1S/C12H17FN2.2ClH/c13-10-12(11-4-2-1-3-5-11)15-8-6-14-7-9-15;;/h1-5,12,14H,6-10H2;2*1H/t12-;;/m0../s1
InChIKeyRKGNDPCSEBIXGC-LTCKWSDVSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride
CID 171181994
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292149
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730
1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182615
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722
1-(2-chloro-1-phenylethyl)piperazine
CID 59260605
1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine
CID 131476591
1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182372
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine;dihydrochloride
CID 171290844
1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine
CID 171182716

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride (CID 171282898) is 1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride is Cl.Cl.FC[C@@H](c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride?
The InChIKey is RKGNDPCSEBIXGC-LTCKWSDVSA-N. The full InChI is InChI=1S/C12H17FN2.2ClH/c13-10-12(11-4-2-1-3-5-11)15-8-6-14-7-9-15;;/h1-5,12,14H,6-10H2;2*1H/t12-;;/m0../s1.
What are the key properties of 1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride?
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride has a molecular weight of 281.20 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171282898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).