1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine

C13H20N2O — CID 171281674

IUPAC1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine
SMILESc1cc([C@H](C2CCC2)N2CCNCC2)co1
InChIInChI=1S/C13H20N2O/c1-2-11(3-1)13(12-4-9-16-10-12)15-7-5-14-6-8-15/h4,9-11,13-14H,1-3,5-8H2/t13-/m0/s1
InChIKeyWWKNJTBISPGALE-ZDUSSCGKSA-N
MW220.32 g/mol
LogP2.03
Rot. Bonds3

About 1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine

1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine (PubChem CID 171281674) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine
PubChem CID171281674
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine
SMILESc1cc([C@H](C2CCC2)N2CCNCC2)co1
InChIInChI=1S/C13H20N2O/c1-2-11(3-1)13(12-4-9-16-10-12)15-7-5-14-6-8-15/h4,9-11,13-14H,1-3,5-8H2/t13-/m0/s1
InChIKeyWWKNJTBISPGALE-ZDUSSCGKSA-N
XLogP2.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171285182
1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine
CID 95488327
1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
CID 82301889
1-[(S)-cyclobutyl-(4-pyrrolidin-1-ylphenyl)methyl]piperazine;dihydrochloride
CID 171284553
1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
CID 95471659
1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 95489813
1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine
CID 82290436
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
1-[(S)-cyclobutyl-[4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171178431
1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176375
1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171179692

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine (CID 171281674) is 1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine is c1cc([C@H](C2CCC2)N2CCNCC2)co1.
What is the InChIKey of 1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine?
The InChIKey is WWKNJTBISPGALE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-11(3-1)13(12-4-9-16-10-12)15-7-5-14-6-8-15/h4,9-11,13-14H,1-3,5-8H2/t13-/m0/s1.
What are the key properties of 1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine?
1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine has a molecular weight of 220.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclobutyl(furan-3-yl)methyl]piperazine is sourced from PubChem (CID 171281674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).