1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride

C19H24ClFN2O — CID 171163278

IUPAC1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride
SMILESCl.FCC[C@@H](c1cccc(Oc2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C19H23FN2O.ClH/c20-10-9-19(22-13-11-21-12-14-22)16-5-4-8-18(15-16)23-17-6-2-1-3-7-17;/h1-8,15,19,21H,9-14H2;1H/t19-;/m0./s1
InChIKeySQWVMVNRBJNAIJ-FYZYNONXSA-N
MW350.87 g/mol
LogP4.21
Rot. Bonds6

About 1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride

1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride (PubChem CID 171163278) has the molecular formula C19H24ClFN2O and a molecular weight of 350.87 g/mol. Its IUPAC name is 1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride
PubChem CID171163278
Molecular FormulaC19H24ClFN2O
Molecular Weight350.87 g/mol
Exact Mass350.16
IUPAC Name1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride
SMILESCl.FCC[C@@H](c1cccc(Oc2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C19H23FN2O.ClH/c20-10-9-19(22-13-11-21-12-14-22)16-5-4-8-18(15-16)23-17-6-2-1-3-7-17;/h1-8,15,19,21H,9-14H2;1H/t19-;/m0./s1
InChIKeySQWVMVNRBJNAIJ-FYZYNONXSA-N
XLogP4.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(3,4-diphenoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171162806
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730
1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine
CID 171286987
(3S)-3-(3-phenoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305866
(3R)-3-(3-phenoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306611
1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182615
1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine
CID 171171813
1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181679
1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine
CID 171165897
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine;dihydrochloride
CID 171290844
1-[(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butyl]piperazine
CID 171172354
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine
CID 171181941

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride (CID 171163278) is 1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride is Cl.FCC[C@@H](c1cccc(Oc2ccccc2)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride?
The InChIKey is SQWVMVNRBJNAIJ-FYZYNONXSA-N. The full InChI is InChI=1S/C19H23FN2O.ClH/c20-10-9-19(22-13-11-21-12-14-22)16-5-4-8-18(15-16)23-17-6-2-1-3-7-17;/h1-8,15,19,21H,9-14H2;1H/t19-;/m0./s1.
What are the key properties of 1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride?
1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 171163278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).