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

C16H22N2O2 — CID 28799283

IUPAC1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
SMILESc1cc2c(cc1[C@H](C1CC1)N1CCNCC1)OCCO2
InChIInChI=1S/C16H22N2O2/c1-2-12(1)16(18-7-5-17-6-8-18)13-3-4-14-15(11-13)20-10-9-19-14/h3-4,11-12,16-17H,1-2,5-10H2/t16-/m0/s1
InChIKeyIGUNARBLRDZRRN-INIZCTEOSA-N
MW274.36 g/mol
LogP1.81
Rot. Bonds3

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

1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine (PubChem CID 28799283) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
PubChem CID28799283
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
SMILESc1cc2c(cc1[C@H](C1CC1)N1CCNCC1)OCCO2
InChIInChI=1S/C16H22N2O2/c1-2-12(1)16(18-7-5-17-6-8-18)13-3-4-14-15(11-13)20-10-9-19-14/h3-4,11-12,16-17H,1-2,5-10H2/t16-/m0/s1
InChIKeyIGUNARBLRDZRRN-INIZCTEOSA-N
XLogP1.81
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 28799286
1-[(S)-cyclobutyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 95489813
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)-2,3-dihydro-1-benzofuran-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171288374
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine
CID 28798830
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-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine
CID 171310993
1-[(R)-(2-bromo-4-pyridinyl)-cyclopropylmethyl]piperazine
CID 171289073
1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 28799243
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine
CID 171170564

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine (CID 28799283) is 1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine is c1cc2c(cc1[C@H](C1CC1)N1CCNCC1)OCCO2.
What is the InChIKey of 1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine?
The InChIKey is IGUNARBLRDZRRN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-12(1)16(18-7-5-17-6-8-18)13-3-4-14-15(11-13)20-10-9-19-14/h3-4,11-12,16-17H,1-2,5-10H2/t16-/m0/s1.
What are the key properties of 1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine?
1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine has a molecular weight of 274.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine is sourced from PubChem (CID 28799283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).