1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine

C17H24F2N2O2 — CID 171281259

IUPAC1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine
SMILESFC(F)Oc1ccccc1[C@H](C1CCOCC1)N1CCNCC1
InChIInChI=1S/C17H24F2N2O2/c18-17(19)23-15-4-2-1-3-14(15)16(13-5-11-22-12-6-13)21-9-7-20-8-10-21/h1-4,13,16-17,20H,5-12H2/t16-/m0/s1
InChIKeyBBKPKBMAPQNDGU-INIZCTEOSA-N
MW326.39 g/mol
LogP2.66
Rot. Bonds5

About 1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine

1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine (PubChem CID 171281259) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine
PubChem CID171281259
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine
SMILESFC(F)Oc1ccccc1[C@H](C1CCOCC1)N1CCNCC1
InChIInChI=1S/C17H24F2N2O2/c18-17(19)23-15-4-2-1-3-14(15)16(13-5-11-22-12-6-13)21-9-7-20-8-10-21/h1-4,13,16-17,20H,5-12H2/t16-/m0/s1
InChIKeyBBKPKBMAPQNDGU-INIZCTEOSA-N
XLogP2.66
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine
CID 171180855
1-[(S)-oxan-4-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280476
1-[(R)-(2-iodophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171293298
2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171294267
1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171281433
2-ethoxy-6-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171284023
3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]benzene-1,2-diol;dihydrochloride
CID 171287326
1-[(R)-[4-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171290879
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171293872
1-[(S)-(2-nitrophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171272637
1-[(S)-cyclopropyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279601
1-[(S)-(2-fluoro-6-methoxyphenyl)-(oxan-4-yl)methyl]piperazine
CID 171280770

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine?
The IUPAC name of 1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine (CID 171281259) is 1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine is FC(F)Oc1ccccc1[C@H](C1CCOCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine?
The InChIKey is BBKPKBMAPQNDGU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c18-17(19)23-15-4-2-1-3-14(15)16(13-5-11-22-12-6-13)21-9-7-20-8-10-21/h1-4,13,16-17,20H,5-12H2/t16-/m0/s1.
What are the key properties of 1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine?
1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine has a molecular weight of 326.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine is sourced from PubChem (CID 171281259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).