1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride

C15H23ClF2N2 — CID 171175584

IUPAC1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCc1cc(C)cc([C@@H](CC(F)F)N2CCNCC2)c1.Cl
InChIInChI=1S/C15H22F2N2.ClH/c1-11-7-12(2)9-13(8-11)14(10-15(16)17)19-5-3-18-4-6-19;/h7-9,14-15,18H,3-6,10H2,1-2H3;1H/t14-;/m1./s1
InChIKeyOTQOKDJJZLALFP-PFEQFJNWSA-N
MW304.81 g/mol
LogP3.33
Rot. Bonds4

About 1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride

1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride (PubChem CID 171175584) has the molecular formula C15H23ClF2N2 and a molecular weight of 304.81 g/mol. Its IUPAC name is 1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
PubChem CID171175584
Molecular FormulaC15H23ClF2N2
Molecular Weight304.81 g/mol
Exact Mass304.15
IUPAC Name1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCc1cc(C)cc([C@@H](CC(F)F)N2CCNCC2)c1.Cl
InChIInChI=1S/C15H22F2N2.ClH/c1-11-7-12(2)9-13(8-11)14(10-15(16)17)19-5-3-18-4-6-19;/h7-9,14-15,18H,3-6,10H2,1-2H3;1H/t14-;/m1./s1
InChIKeyOTQOKDJJZLALFP-PFEQFJNWSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1R)-3,3-difluoro-1-piperazin-1-ylpropyl]benzene-1,3-diol;hydrochloride
CID 171175199
1-[(1S)-1-(3,5-dichlorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171179011
1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171178562
1-[(1S)-1-(3,5-dimethylphenyl)butyl]piperazine;dihydrochloride
CID 171275537
1-[(1R)-1-(3,5-dimethylphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171169052
1-[(1S)-1-(3-bromo-4-methylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171179209
1-[(1R)-1-(4-bromo-3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171175616
2,6-ditert-butyl-4-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171178262
1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171180890
1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride
CID 171180814
1-[(1R)-3,3-difluoro-1-[3-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171176567
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171175381

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride (CID 171175584) is 1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride is Cc1cc(C)cc([C@@H](CC(F)F)N2CCNCC2)c1.Cl.
What is the InChIKey of 1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The InChIKey is OTQOKDJJZLALFP-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H22F2N2.ClH/c1-11-7-12(2)9-13(8-11)14(10-15(16)17)19-5-3-18-4-6-19;/h7-9,14-15,18H,3-6,10H2,1-2H3;1H/t14-;/m1./s1.
What are the key properties of 1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride has a molecular weight of 304.81 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3,5-dimethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171175584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).