1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride

C18H22ClFN2O — CID 171182615

IUPAC1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
SMILESCl.FC[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C18H21FN2O.ClH/c19-14-18(21-12-10-20-11-13-21)15-6-8-17(9-7-15)22-16-4-2-1-3-5-16;/h1-9,18,20H,10-14H2;1H/t18-;/m0./s1
InChIKeyRWTQKSQBTSBMPH-FERBBOLQSA-N
MW336.84 g/mol
LogP3.82
Rot. Bonds5

About 1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride

1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride (PubChem CID 171182615) has the molecular formula C18H22ClFN2O and a molecular weight of 336.84 g/mol. Its IUPAC name is 1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
PubChem CID171182615
Molecular FormulaC18H22ClFN2O
Molecular Weight336.84 g/mol
Exact Mass336.14
IUPAC Name1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
SMILESCl.FC[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C18H21FN2O.ClH/c19-14-18(21-12-10-20-11-13-21)15-6-8-17(9-7-15)22-16-4-2-1-3-5-16;/h1-9,18,20H,10-14H2;1H/t18-;/m0./s1
InChIKeyRWTQKSQBTSBMPH-FERBBOLQSA-N
XLogP3.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183512
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine
CID 171165897
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-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308008
1-[(1R)-3-methyl-1-(4-phenoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171292352
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine
CID 171309305
1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride
CID 171163278
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride (CID 171182615) is 1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride is Cl.FC[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride?
The InChIKey is RWTQKSQBTSBMPH-FERBBOLQSA-N. The full InChI is InChI=1S/C18H21FN2O.ClH/c19-14-18(21-12-10-20-11-13-21)15-6-8-17(9-7-15)22-16-4-2-1-3-5-16;/h1-9,18,20H,10-14H2;1H/t18-;/m0./s1.
What are the key properties of 1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride?
1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride has a molecular weight of 336.84 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171182615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).