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

C14H18ClF5N2O — CID 171172317

IUPAC1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride
SMILESCl.FC(F)Oc1ccccc1[C@@H](CC(F)(F)F)N1CCNCC1
InChIInChI=1S/C14H17F5N2O.ClH/c15-13(16)22-12-4-2-1-3-10(12)11(9-14(17,18)19)21-7-5-20-6-8-21;/h1-4,11,13,20H,5-9H2;1H/t11-;/m1./s1
InChIKeyVTQUPXBAMNVXAA-RFVHGSKJSA-N
MW360.75 g/mol
LogP3.61
Rot. Bonds5

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

1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride (PubChem CID 171172317) has the molecular formula C14H18ClF5N2O and a molecular weight of 360.75 g/mol. Its IUPAC name is 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride
PubChem CID171172317
Molecular FormulaC14H18ClF5N2O
Molecular Weight360.75 g/mol
Exact Mass360.10
IUPAC Name1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride
SMILESCl.FC(F)Oc1ccccc1[C@@H](CC(F)(F)F)N1CCNCC1
InChIInChI=1S/C14H17F5N2O.ClH/c15-13(16)22-12-4-2-1-3-10(12)11(9-14(17,18)19)21-7-5-20-6-8-21;/h1-4,11,13,20H,5-9H2;1H/t11-;/m1./s1
InChIKeyVTQUPXBAMNVXAA-RFVHGSKJSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[2-(difluoromethoxy)phenyl]-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171166984
1-[(1R)-3,3,3-trifluoro-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171303826
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
CID 171177496
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine
CID 171166965
1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine
CID 171172743
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine
CID 171311153
1-[(1S)-1-(2-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171162720
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171293872
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171172325
1-[(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171302441
1-[(1R)-3,3,3-trifluoro-1-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine;hydrochloride
CID 171172578
1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171169153

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride (CID 171172317) is 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride is Cl.FC(F)Oc1ccccc1[C@@H](CC(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride?
The InChIKey is VTQUPXBAMNVXAA-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H17F5N2O.ClH/c15-13(16)22-12-4-2-1-3-10(12)11(9-14(17,18)19)21-7-5-20-6-8-21;/h1-4,11,13,20H,5-9H2;1H/t11-;/m1./s1.
What are the key properties of 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride?
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride has a molecular weight of 360.75 g/mol, XLogP of 3.61, 5 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]-3,3,3-trifluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171172317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).