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

C16H25ClF2N2O — CID 171172325

IUPAC1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
SMILESCC(C)(C)[C@H](c1ccccc1OC(F)F)N1CCNCC1.Cl
InChIInChI=1S/C16H24F2N2O.ClH/c1-16(2,3)14(20-10-8-19-9-11-20)12-6-4-5-7-13(12)21-15(17)18;/h4-7,14-15,19H,8-11H2,1-3H3;1H/t14-;/m0./s1
InChIKeyVKFCUOVKAQBTEO-UQKRIMTDSA-N
MW334.84 g/mol
LogP3.70
Rot. Bonds4

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

1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride (PubChem CID 171172325) has the molecular formula C16H25ClF2N2O and a molecular weight of 334.84 g/mol. Its IUPAC name is 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
PubChem CID171172325
Molecular FormulaC16H25ClF2N2O
Molecular Weight334.84 g/mol
Exact Mass334.16
IUPAC Name1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
SMILESCC(C)(C)[C@H](c1ccccc1OC(F)F)N1CCNCC1.Cl
InChIInChI=1S/C16H24F2N2O.ClH/c1-16(2,3)14(20-10-8-19-9-11-20)12-6-4-5-7-13(12)21-15(17)18;/h4-7,14-15,19H,8-11H2,1-3H3;1H/t14-;/m0./s1
InChIKeyVKFCUOVKAQBTEO-UQKRIMTDSA-N
XLogP3.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171293872
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171166984
1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273226
1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171278260
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171172317
1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171170430
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
CID 171177496
1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine
CID 171180855
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine
CID 171166965
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine
CID 171311153
1-[(1S)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277310
1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171289935

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride (CID 171172325) is 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride is CC(C)(C)[C@H](c1ccccc1OC(F)F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride?
The InChIKey is VKFCUOVKAQBTEO-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H24F2N2O.ClH/c1-16(2,3)14(20-10-8-19-9-11-20)12-6-4-5-7-13(12)21-15(17)18;/h4-7,14-15,19H,8-11H2,1-3H3;1H/t14-;/m0./s1.
What are the key properties of 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride?
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride has a molecular weight of 334.84 g/mol, XLogP of 3.70, 4 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]-2,2-dimethylpropyl]piperazine;hydrochloride is sourced from PubChem (CID 171172325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).