1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride

C18H22ClFN2 — CID 171181994

IUPAC1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride
SMILESCl.FC[C@H](c1ccc(-c2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C18H21FN2.ClH/c19-14-18(21-12-10-20-11-13-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15;/h1-9,18,20H,10-14H2;1H/t18-;/m1./s1
InChIKeyPNBHUOLDKPIJPW-GMUIIQOCSA-N
MW320.84 g/mol
LogP3.69
Rot. Bonds4

About 1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride

1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride (PubChem CID 171181994) has the molecular formula C18H22ClFN2 and a molecular weight of 320.84 g/mol. Its IUPAC name is 1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride
PubChem CID171181994
Molecular FormulaC18H22ClFN2
Molecular Weight320.84 g/mol
Exact Mass320.15
IUPAC Name1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride
SMILESCl.FC[C@H](c1ccc(-c2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C18H21FN2.ClH/c19-14-18(21-12-10-20-11-13-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15;/h1-9,18,20H,10-14H2;1H/t18-;/m1./s1
InChIKeyPNBHUOLDKPIJPW-GMUIIQOCSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292149
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride
CID 171180179
1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164
1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182615
(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189192
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292166
1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine
CID 171310273
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine
CID 171292165
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730
1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine
CID 131476591
1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182372

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride (CID 171181994) is 1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride is Cl.FC[C@H](c1ccc(-c2ccccc2)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride?
The InChIKey is PNBHUOLDKPIJPW-GMUIIQOCSA-N. The full InChI is InChI=1S/C18H21FN2.ClH/c19-14-18(21-12-10-20-11-13-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15;/h1-9,18,20H,10-14H2;1H/t18-;/m1./s1.
What are the key properties of 1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride?
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride has a molecular weight of 320.84 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171181994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).