1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine

C16H24N2O2 — CID 117442969

IUPAC1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine
SMILESCc1cc2c(cc1CCN1CCNCC1)OCCCO2
InChIInChI=1S/C16H24N2O2/c1-13-11-15-16(20-10-2-9-19-15)12-14(13)3-6-18-7-4-17-5-8-18/h11-12,17H,2-10H2,1H3
InChIKeyFOHHQINHVQLBDI-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.60
Rot. Bonds3

About 1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine

1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine (PubChem CID 117442969) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine
PubChem CID117442969
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine
SMILESCc1cc2c(cc1CCN1CCNCC1)OCCCO2
InChIInChI=1S/C16H24N2O2/c1-13-11-15-16(20-10-2-9-19-15)12-14(13)3-6-18-7-4-17-5-8-18/h11-12,17H,2-10H2,1H3
InChIKeyFOHHQINHVQLBDI-UHFFFAOYSA-N
XLogP1.60
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]piperidine
CID 117408332
1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117442959
1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117446444
1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine
CID 117374191
1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
CID 94693693
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone
CID 98020112
1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 117410722
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine
CID 84798248
1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine
CID 82667448
1-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperazine
CID 82266066
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine (CID 117442969) is 1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine is Cc1cc2c(cc1CCN1CCNCC1)OCCCO2.
What is the InChIKey of 1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine?
The InChIKey is FOHHQINHVQLBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-11-15-16(20-10-2-9-19-15)12-14(13)3-6-18-7-4-17-5-8-18/h11-12,17H,2-10H2,1H3.
What are the key properties of 1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine?
1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine has a molecular weight of 276.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine is sourced from PubChem (CID 117442969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).