1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine

C15H20F2N2 — CID 171179290

IUPAC1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine
SMILESFc1cccc(F)c1[C@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C15H20F2N2/c16-12-5-2-6-13(17)14(12)15(11-3-1-4-11)19-9-7-18-8-10-19/h2,5-6,11,15,18H,1,3-4,7-10H2/t15-/m0/s1
InChIKeyJLOMBLUDLAYDCV-HNNXBMFYSA-N
MW266.33 g/mol
LogP2.71
Rot. Bonds3

About 1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine

1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine (PubChem CID 171179290) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine
PubChem CID171179290
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine
SMILESFc1cccc(F)c1[C@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C15H20F2N2/c16-12-5-2-6-13(17)14(12)15(11-3-1-4-11)19-9-7-18-8-10-19/h2,5-6,11,15,18H,1,3-4,7-10H2/t15-/m0/s1
InChIKeyJLOMBLUDLAYDCV-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)-(2-chloro-6-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171163179
1-[(S)-(2-chloro-3,6-difluorophenyl)-cyclobutylmethyl]piperazine
CID 171180450
1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280765
1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171170017
1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride
CID 171175923
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171175032
1-[(S)-cyclohexyl-(2,3,6-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164678
1-[(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171176169
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride
CID 171175033
1-[(S)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171180317
1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171176993
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-3,6-difluorophenol;dihydrochloride
CID 171300095

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine (CID 171179290) is 1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine is Fc1cccc(F)c1[C@H](C1CCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine?
The InChIKey is JLOMBLUDLAYDCV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20F2N2/c16-12-5-2-6-13(17)14(12)15(11-3-1-4-11)19-9-7-18-8-10-19/h2,5-6,11,15,18H,1,3-4,7-10H2/t15-/m0/s1.
What are the key properties of 1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine?
1-[(S)-cyclobutyl-(2,6-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-(2,6-difluorophenyl)methyl]piperazine is sourced from PubChem (CID 171179290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).