1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine

C15H20F2N2 — CID 82304452

IUPAC1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine
SMILESFc1ccc(C(C2CCC2)N2CCNCC2)c(F)c1
InChIInChI=1S/C15H20F2N2/c16-12-4-5-13(14(17)10-12)15(11-2-1-3-11)19-8-6-18-7-9-19/h4-5,10-11,15,18H,1-3,6-9H2
InChIKeyBBDNBYOPHGOCCH-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.71
Rot. Bonds3

About 1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine

1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine (PubChem CID 82304452) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine
PubChem CID82304452
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine
SMILESFc1ccc(C(C2CCC2)N2CCNCC2)c(F)c1
InChIInChI=1S/C15H20F2N2/c16-12-4-5-13(14(17)10-12)15(11-2-1-3-11)19-8-6-18-7-9-19/h4-5,10-11,15,18H,1-3,6-9H2
InChIKeyBBDNBYOPHGOCCH-UHFFFAOYSA-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-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289675
1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171179117
1-[(R)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171288701
1-[(S)-cyclobutyl-(4-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171275263
1-[(R)-(2-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168923
1-[(S)-(2-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171163387
1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171176216
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171179587
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
CID 171273291
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
1-[(S)-(2-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164424
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride
CID 171162966

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine?
The IUPAC name of 1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine (CID 82304452) is 1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine is Fc1ccc(C(C2CCC2)N2CCNCC2)c(F)c1.
What is the InChIKey of 1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine?
The InChIKey is BBDNBYOPHGOCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c16-12-4-5-13(14(17)10-12)15(11-2-1-3-11)19-8-6-18-7-9-19/h4-5,10-11,15,18H,1-3,6-9H2.
What are the key properties of 1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine?
1-[cyclobutyl-(2,4-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-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine is sourced from PubChem (CID 82304452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).