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

C16H18F2N2O2 — CID 171177505

IUPAC1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine
SMILESFC(F)Oc1ccccc1[C@@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C16H18F2N2O2/c17-16(18)22-13-5-2-1-4-12(13)15(14-6-3-11-21-14)20-9-7-19-8-10-20/h1-6,11,15-16,19H,7-10H2/t15-/m0/s1
InChIKeyOAWLZCXWTFVMQX-HNNXBMFYSA-N
MW308.33 g/mol
LogP2.88
Rot. Bonds5

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

1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine (PubChem CID 171177505) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine
PubChem CID171177505
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine
SMILESFC(F)Oc1ccccc1[C@@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C16H18F2N2O2/c17-16(18)22-13-5-2-1-4-12(13)15(14-6-3-11-21-14)20-9-7-19-8-10-20/h1-6,11,15-16,19H,7-10H2/t15-/m0/s1
InChIKeyOAWLZCXWTFVMQX-HNNXBMFYSA-N
XLogP2.88
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-furan-2-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180697
1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176498
1-[(S)-(4-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176218
1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176421
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171293872
1-[(S)-[2-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171177510
1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171179378
1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171176466
2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol
CID 171175036
1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180282
1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233
1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine
CID 171180855

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine?
The IUPAC name of 1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine (CID 171177505) is 1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine is FC(F)Oc1ccccc1[C@@H](c1ccco1)N1CCNCC1.
What is the InChIKey of 1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine?
The InChIKey is OAWLZCXWTFVMQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c17-16(18)22-13-5-2-1-4-12(13)15(14-6-3-11-21-14)20-9-7-19-8-10-20/h1-6,11,15-16,19H,7-10H2/t15-/m0/s1.
What are the key properties of 1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine?
1-[(S)-[2-(difluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine has a molecular weight of 308.33 g/mol, XLogP of 2.88, 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]-(furan-2-yl)methyl]piperazine is sourced from PubChem (CID 171177505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).