1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride

C19H23ClF2N2 — CID 171180179

IUPAC1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride
SMILESCl.FC(F)C[C@@H](c1ccc(-c2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C19H22F2N2.ClH/c20-19(21)14-18(23-12-10-22-11-13-23)17-8-6-16(7-9-17)15-4-2-1-3-5-15;/h1-9,18-19,22H,10-14H2;1H/t18-;/m0./s1
InChIKeyACCYTHBMASRIND-FERBBOLQSA-N
MW352.86 g/mol
LogP4.38
Rot. Bonds5

About 1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride

1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride (PubChem CID 171180179) has the molecular formula C19H23ClF2N2 and a molecular weight of 352.86 g/mol. Its IUPAC name is 1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride
PubChem CID171180179
Molecular FormulaC19H23ClF2N2
Molecular Weight352.86 g/mol
Exact Mass352.15
IUPAC Name1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride
SMILESCl.FC(F)C[C@@H](c1ccc(-c2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C19H22F2N2.ClH/c20-19(21)14-18(23-12-10-22-11-13-23)17-8-6-16(7-9-17)15-4-2-1-3-5-15;/h1-9,18-19,22H,10-14H2;1H/t18-;/m0./s1
InChIKeyACCYTHBMASRIND-FERBBOLQSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 54.38
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)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292166
1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride
CID 171175433
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine
CID 171292165
1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164
1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171180890
(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189192
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171175381
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine
CID 171175380
1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine
CID 171310273
1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride
CID 171180814

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride (CID 171180179) is 1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride is Cl.FC(F)C[C@@H](c1ccc(-c2ccccc2)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride?
The InChIKey is ACCYTHBMASRIND-FERBBOLQSA-N. The full InChI is InChI=1S/C19H22F2N2.ClH/c20-19(21)14-18(23-12-10-22-11-13-23)17-8-6-16(7-9-17)15-4-2-1-3-5-15;/h1-9,18-19,22H,10-14H2;1H/t18-;/m0./s1.
What are the key properties of 1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride?
1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride has a molecular weight of 352.86 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 171180179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).