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

C16H22F2N2O — CID 171180855

IUPAC1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)Oc1ccccc1[C@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C16H22F2N2O/c17-16(18)21-14-7-2-1-6-13(14)15(12-4-3-5-12)20-10-8-19-9-11-20/h1-2,6-7,12,15-16,19H,3-5,8-11H2/t15-/m0/s1
InChIKeyKMHDZUZOGSFIAT-HNNXBMFYSA-N
MW296.36 g/mol
LogP3.03
Rot. Bonds5

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

1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine (PubChem CID 171180855) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine
PubChem CID171180855
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)Oc1ccccc1[C@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C16H22F2N2O/c17-16(18)21-14-7-2-1-6-13(14)15(12-4-3-5-12)20-10-8-19-9-11-20/h1-2,6-7,12,15-16,19H,3-5,8-11H2/t15-/m0/s1
InChIKeyKMHDZUZOGSFIAT-HNNXBMFYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171281259
1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176847
1-[(S)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279602
1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171166606
1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine
CID 171171176
1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171288190
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171293872
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
1-[(S)-cyclopropyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279601
1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171176216
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171179587
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179588

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine (CID 171180855) is 1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine is FC(F)Oc1ccccc1[C@H](C1CCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is KMHDZUZOGSFIAT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c17-16(18)21-14-7-2-1-6-13(14)15(12-4-3-5-12)20-10-8-19-9-11-20/h1-2,6-7,12,15-16,19H,3-5,8-11H2/t15-/m0/s1.
What are the key properties of 1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine?
1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 296.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 171180855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).