1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride

C15H22Cl2F2N2 — CID 171289675

IUPAC1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(F)c([C@@H](C2CCC2)N2CCNCC2)c1
InChIInChI=1S/C15H20F2N2.2ClH/c16-12-4-5-14(17)13(10-12)15(11-2-1-3-11)19-8-6-18-7-9-19;;/h4-5,10-11,15,18H,1-3,6-9H2;2*1H/t15-;;/m1../s1
InChIKeyOLJQMRPPMGMTJA-QCUBGVIVSA-N
MW339.26 g/mol
LogP3.55
Rot. Bonds3

About 1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride

1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride (PubChem CID 171289675) has the molecular formula C15H22Cl2F2N2 and a molecular weight of 339.26 g/mol. Its IUPAC name is 1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
PubChem CID171289675
Molecular FormulaC15H22Cl2F2N2
Molecular Weight339.26 g/mol
Exact Mass338.11
IUPAC Name1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(F)c([C@@H](C2CCC2)N2CCNCC2)c1
InChIInChI=1S/C15H20F2N2.2ClH/c16-12-4-5-14(17)13(10-12)15(11-2-1-3-11)19-8-6-18-7-9-19;;/h4-5,10-11,15,18H,1-3,6-9H2;2*1H/t15-;;/m1../s1
InChIKeyOLJQMRPPMGMTJA-QCUBGVIVSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-cyclopropyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289674
1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine
CID 82304452
1-[(S)-cyclobutyl-(2-fluoro-5-iodophenyl)methyl]piperazine;hydrochloride
CID 171181497
1-[(S)-cyclobutyl-(5-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171277175
1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171275461
1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171292751
1-[(S)-cyclobutyl-(4-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171275263
1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171164593
1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride
CID 171169463
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride
CID 171168246
1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288497
1-[(S)-cyclohexyl-(2-fluoro-5-iodophenyl)methyl]piperazine;dihydrochloride
CID 171284076

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride (CID 171289675) is 1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride is Cl.Cl.Fc1ccc(F)c([C@@H](C2CCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride?
The InChIKey is OLJQMRPPMGMTJA-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H20F2N2.2ClH/c16-12-4-5-14(17)13(10-12)15(11-2-1-3-11)19-8-6-18-7-9-19;;/h4-5,10-11,15,18H,1-3,6-9H2;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride has a molecular weight of 339.26 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171289675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).