1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride

C14H19ClF4N2O — CID 171177496

IUPAC1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCl.FC(F)C[C@H](c1ccccc1OC(F)F)N1CCNCC1
InChIInChI=1S/C14H18F4N2O.ClH/c15-13(16)9-11(20-7-5-19-6-8-20)10-3-1-2-4-12(10)21-14(17)18;/h1-4,11,13-14,19H,5-9H2;1H/t11-;/m1./s1
InChIKeyVNIZOPFXPWTTBB-RFVHGSKJSA-N
MW342.76 g/mol
LogP3.31
Rot. Bonds6

About 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride

1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride (PubChem CID 171177496) has the molecular formula C14H19ClF4N2O and a molecular weight of 342.76 g/mol. Its IUPAC name is 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
PubChem CID171177496
Molecular FormulaC14H19ClF4N2O
Molecular Weight342.76 g/mol
Exact Mass342.11
IUPAC Name1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCl.FC(F)C[C@H](c1ccccc1OC(F)F)N1CCNCC1
InChIInChI=1S/C14H18F4N2O.ClH/c15-13(16)9-11(20-7-5-19-6-8-20)10-3-1-2-4-12(10)21-14(17)18;/h1-4,11,13-14,19H,5-9H2;1H/t11-;/m1./s1
InChIKeyVNIZOPFXPWTTBB-RFVHGSKJSA-N
XLogP3.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine
CID 171166965
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171172317
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171166984
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine
CID 171311153
1-[(1S)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine;hydrochloride
CID 171180808
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171293872
1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171174919
1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine
CID 171177405
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171172325
1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine
CID 171182135
1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine
CID 171180855

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride (CID 171177496) is 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride is Cl.FC(F)C[C@H](c1ccccc1OC(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride?
The InChIKey is VNIZOPFXPWTTBB-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H18F4N2O.ClH/c15-13(16)9-11(20-7-5-19-6-8-20)10-3-1-2-4-12(10)21-14(17)18;/h1-4,11,13-14,19H,5-9H2;1H/t11-;/m1./s1.
What are the key properties of 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride?
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride has a molecular weight of 342.76 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171177496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).