1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine

C17H26N2O2 — CID 64930805

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H26N2O2/c1-12(2)14-10-18-17(3,4)11-19(14)13-5-6-15-16(9-13)21-8-7-20-15/h5-6,9,12,14,18H,7-8,10-11H2,1-4H3
InChIKeyOVWRZPZQHHTANW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.67
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 64930805) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID64930805
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H26N2O2/c1-12(2)14-10-18-17(3,4)11-19(14)13-5-6-15-16(9-13)21-8-7-20-15/h5-6,9,12,14,18H,7-8,10-11H2,1-4H3
InChIKeyOVWRZPZQHHTANW-UHFFFAOYSA-N
XLogP2.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine
CID 64931800
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5,5-trimethylpiperazine
CID 64930962
1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64946280
1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64930665
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-diethyl-2-methylpiperazine
CID 64931200
(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine
CID 94982663
1-(1,3-dimethylpyrazol-4-yl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 102807519
5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64931009
1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
CID 64933548
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methylpiperazine
CID 64954262
5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine
CID 64931417
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine
CID 117017052

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine (CID 64930805) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C)(C)CN1c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is OVWRZPZQHHTANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)14-10-18-17(3,4)11-19(14)13-5-6-15-16(9-13)21-8-7-20-15/h5-6,9,12,14,18H,7-8,10-11H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 290.41 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64930805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).