1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine

C16H22F2N2O — CID 171178059

IUPAC1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine
SMILESCOc1cc(F)c([C@@H](C2CCC2)N2CCNCC2)c(F)c1
InChIInChI=1S/C16H22F2N2O/c1-21-12-9-13(17)15(14(18)10-12)16(11-3-2-4-11)20-7-5-19-6-8-20/h9-11,16,19H,2-8H2,1H3/t16-/m1/s1
InChIKeyXMXPNNITBYGGSC-MRXNPFEDSA-N
MW296.36 g/mol
LogP2.72
Rot. Bonds4

About 1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine

1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine (PubChem CID 171178059) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine
PubChem CID171178059
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine
SMILESCOc1cc(F)c([C@@H](C2CCC2)N2CCNCC2)c(F)c1
InChIInChI=1S/C16H22F2N2O/c1-21-12-9-13(17)15(14(18)10-12)16(11-3-2-4-11)20-7-5-19-6-8-20/h9-11,16,19H,2-8H2,1H3/t16-/m1/s1
InChIKeyXMXPNNITBYGGSC-MRXNPFEDSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine
CID 171286297
1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine
CID 171179290
1-[(S)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethyl]piperazine
CID 171165147
1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171166960
1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
CID 82301889
1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171292805
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-3,5-difluorophenol
CID 171300130
1-[(S)-cyclopentyl-(2,6-difluoro-3-methoxyphenyl)methyl]piperazine
CID 171167774
2-bromo-6-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-methoxyphenol
CID 171301210
1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280765
1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179720
1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine
CID 171178051

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine (CID 171178059) is 1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine is COc1cc(F)c([C@@H](C2CCC2)N2CCNCC2)c(F)c1.
What is the InChIKey of 1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine?
The InChIKey is XMXPNNITBYGGSC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-21-12-9-13(17)15(14(18)10-12)16(11-3-2-4-11)20-7-5-19-6-8-20/h9-11,16,19H,2-8H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine?
1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine has a molecular weight of 296.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclobutyl-(2,6-difluoro-4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 171178059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).