1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine

C17H26N2O2 — CID 64979618

IUPAC1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine
SMILESCC1CN(C(C)c2ccc3c(c2)OCCCO3)C(C)CN1
InChIInChI=1S/C17H26N2O2/c1-12-11-19(13(2)10-18-12)14(3)15-5-6-16-17(9-15)21-8-4-7-20-16/h5-6,9,12-14,18H,4,7-8,10-11H2,1-3H3
InChIKeyUEAIIIKPAQBLEN-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.59
Rot. Bonds2

About 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine

1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine (PubChem CID 64979618) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine
PubChem CID64979618
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine
SMILESCC1CN(C(C)c2ccc3c(c2)OCCCO3)C(C)CN1
InChIInChI=1S/C17H26N2O2/c1-12-11-19(13(2)10-18-12)14(3)15-5-6-16-17(9-15)21-8-4-7-20-16/h5-6,9,12-14,18H,4,7-8,10-11H2,1-3H3
InChIKeyUEAIIIKPAQBLEN-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979644
2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 64978991
1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azetidine-3-carboxylic acid
CID 65071687
[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]azanium
CID 7129415
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine
CID 115311841
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylbutanal
CID 82083070
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
CID 7047685
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine
CID 115314847
7-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 58689144
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)nonan-1-amine
CID 65447814
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200423

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine (CID 64979618) is 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine is CC1CN(C(C)c2ccc3c(c2)OCCCO3)C(C)CN1.
What is the InChIKey of 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine?
The InChIKey is UEAIIIKPAQBLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-11-19(13(2)10-18-12)14(3)15-5-6-16-17(9-15)21-8-4-7-20-16/h5-6,9,12-14,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine?
1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine has a molecular weight of 290.41 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 64979618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).