1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine

C17H24N2O2 — CID 95489813

IUPAC1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
SMILESc1cc2c(cc1[C@H](C1CCC1)N1CCNCC1)OCCO2
InChIInChI=1S/C17H24N2O2/c1-2-13(3-1)17(19-8-6-18-7-9-19)14-4-5-15-16(12-14)21-11-10-20-15/h4-5,12-13,17-18H,1-3,6-11H2/t17-/m0/s1
InChIKeyFVEUROLSPOZDSP-KRWDZBQOSA-N
MW288.39 g/mol
LogP2.20
Rot. Bonds3

About 1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine

1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine (PubChem CID 95489813) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
PubChem CID95489813
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
SMILESc1cc2c(cc1[C@H](C1CCC1)N1CCNCC1)OCCO2
InChIInChI=1S/C17H24N2O2/c1-2-13(3-1)17(19-8-6-18-7-9-19)14-4-5-15-16(12-14)21-11-10-20-15/h4-5,12-13,17-18H,1-3,6-11H2/t17-/m0/s1
InChIKeyFVEUROLSPOZDSP-KRWDZBQOSA-N
XLogP2.20
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 28799283
1-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 28799286
1-[(R)-1,3-benzodioxol-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171297107
1-[(S)-cyclopentyl(2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine;dihydrochloride
CID 171275740
1-[(R)-cyclobutyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine;hydrochloride
CID 171178024
1-[(S)-cyclopentyl-(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine;hydrochloride
CID 171167716
1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
CID 95471659
1-[(R)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171288374
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171285182
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 95468433

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine (CID 95489813) is 1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine is c1cc2c(cc1[C@H](C1CCC1)N1CCNCC1)OCCO2.
What is the InChIKey of 1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine?
The InChIKey is FVEUROLSPOZDSP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-13(3-1)17(19-8-6-18-7-9-19)14-4-5-15-16(12-14)21-11-10-20-15/h4-5,12-13,17-18H,1-3,6-11H2/t17-/m0/s1.
What are the key properties of 1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine?
1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine has a molecular weight of 288.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine is sourced from PubChem (CID 95489813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).