1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine

C17H25FN2O — CID 171287989

IUPAC1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine
SMILESCc1ccc([C@@H](C2CCOCC2)N2CCNCC2)c(F)c1
InChIInChI=1S/C17H25FN2O/c1-13-2-3-15(16(18)12-13)17(14-4-10-21-11-5-14)20-8-6-19-7-9-20/h2-3,12,14,17,19H,4-11H2,1H3/t17-/m1/s1
InChIKeySCDBKBYCVSSONM-QGZVFWFLSA-N
MW292.40 g/mol
LogP2.51
Rot. Bonds3

About 1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine

1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine (PubChem CID 171287989) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine
PubChem CID171287989
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine
SMILESCc1ccc([C@@H](C2CCOCC2)N2CCNCC2)c(F)c1
InChIInChI=1S/C17H25FN2O/c1-13-2-3-15(16(18)12-13)17(14-4-10-21-11-5-14)20-8-6-19-7-9-20/h2-3,12,14,17,19H,4-11H2,1H3/t17-/m1/s1
InChIKeySCDBKBYCVSSONM-QGZVFWFLSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-(2-bromo-4-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171288124
1-[(S)-(2,3-difluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171280426
2-fluoro-4-methyl-6-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171298220
1-[(S)-(5-chloro-2-fluorophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171275464
1-[(S)-(2-fluoro-4,5-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171282763
1-[(R)-(2-fluoro-5-iodophenyl)-(oxan-4-yl)methyl]piperazine
CID 171296698
1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride
CID 171169463
2-chloro-3-fluoro-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171300298
1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171282623
4-[(S)-oxan-4-yl(piperazin-1-yl)methyl]benzene-1,3-diol
CID 171274036
1-[(R)-(3,5-dimethylphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171288161
1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine
CID 82304452

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine?
The IUPAC name of 1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine (CID 171287989) is 1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine is Cc1ccc([C@@H](C2CCOCC2)N2CCNCC2)c(F)c1.
What is the InChIKey of 1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine?
The InChIKey is SCDBKBYCVSSONM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-13-2-3-15(16(18)12-13)17(14-4-10-21-11-5-14)20-8-6-19-7-9-20/h2-3,12,14,17,19H,4-11H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine?
1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine has a molecular weight of 292.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine is sourced from PubChem (CID 171287989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).