1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine

C16H22N2O2 — CID 171297111

IUPAC1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine
SMILESc1cc2c(cc1[C@@H](CC1CC1)N1CCNCC1)OCO2
InChIInChI=1S/C16H22N2O2/c1-2-12(1)9-14(18-7-5-17-6-8-18)13-3-4-15-16(10-13)20-11-19-15/h3-4,10,12,14,17H,1-2,5-9,11H2/t14-/m1/s1
InChIKeyGFMQECAWVQPVKG-CQSZACIVSA-N
MW274.36 g/mol
LogP2.16
Rot. Bonds4

About 1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine

1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine (PubChem CID 171297111) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine
PubChem CID171297111
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine
SMILESc1cc2c(cc1[C@@H](CC1CC1)N1CCNCC1)OCO2
InChIInChI=1S/C16H22N2O2/c1-2-12(1)9-14(18-7-5-17-6-8-18)13-3-4-15-16(10-13)20-11-19-15/h3-4,10,12,14,17H,1-2,5-9,11H2/t14-/m1/s1
InChIKeyGFMQECAWVQPVKG-CQSZACIVSA-N
XLogP2.16
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(1,3-benzodioxol-5-yl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171297096
1-[(1S)-1-(1,3-benzodioxol-5-yl)-3-methylbutyl]piperazine
CID 95479287
1-[(1S)-1-(1,3-benzodioxol-5-yl)-3-methylbutyl]piperazine;dihydrochloride
CID 171284492
1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride
CID 171297110
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
CID 171288681
1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine
CID 171289842
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682
1-[(R)-1,3-benzodioxol-5-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171297107
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine
CID 28798830
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine
CID 171170564
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171163456

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine (CID 171297111) is 1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine is c1cc2c(cc1[C@@H](CC1CC1)N1CCNCC1)OCO2.
What is the InChIKey of 1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine?
The InChIKey is GFMQECAWVQPVKG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-12(1)9-14(18-7-5-17-6-8-18)13-3-4-15-16(10-13)20-11-19-15/h3-4,10,12,14,17H,1-2,5-9,11H2/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine?
1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine has a molecular weight of 274.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine is sourced from PubChem (CID 171297111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).