1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine

C15H20F2N2 — CID 95471659

IUPAC1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
SMILESFc1ccc([C@H](C2CCC2)N2CCNCC2)cc1F
InChIInChI=1S/C15H20F2N2/c16-13-5-4-12(10-14(13)17)15(11-2-1-3-11)19-8-6-18-7-9-19/h4-5,10-11,15,18H,1-3,6-9H2/t15-/m0/s1
InChIKeyVXIUMAYLLFGCTB-HNNXBMFYSA-N
MW266.33 g/mol
LogP2.71
Rot. Bonds3

About 1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine

1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine (PubChem CID 95471659) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
PubChem CID95471659
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
SMILESFc1ccc([C@H](C2CCC2)N2CCNCC2)cc1F
InChIInChI=1S/C15H20F2N2/c16-13-5-4-12(10-14(13)17)15(11-2-1-3-11)19-8-6-18-7-9-19/h4-5,10-11,15,18H,1-3,6-9H2/t15-/m0/s1
InChIKeyVXIUMAYLLFGCTB-HNNXBMFYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 95468433
1-[(S)-(3-chloro-4-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171178825
1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168696
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride
CID 171168177
1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179720
1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163414
1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171171716
1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 28799243
1-[(S)-cyclohexyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171280105
1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171164961
1-[(R)-cyclohexyl-(3-fluoro-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287647

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine (CID 95471659) is 1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine is Fc1ccc([C@H](C2CCC2)N2CCNCC2)cc1F.
What is the InChIKey of 1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine?
The InChIKey is VXIUMAYLLFGCTB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20F2N2/c16-13-5-4-12(10-14(13)17)15(11-2-1-3-11)19-8-6-18-7-9-19/h4-5,10-11,15,18H,1-3,6-9H2/t15-/m0/s1.
What are the key properties of 1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine?
1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine has a molecular weight of 266.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine is sourced from PubChem (CID 95471659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).