2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine

C14H20N2O2 — CID 82086895

IUPAC2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine
SMILESCN1CCNCC1c1ccc2c(c1)OCCCO2
InChIInChI=1S/C14H20N2O2/c1-16-6-5-15-10-12(16)11-3-4-13-14(9-11)18-8-2-7-17-13/h3-4,9,12,15H,2,5-8,10H2,1H3
InChIKeyNIEBBFKGGCEOGZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.42
Rot. Bonds1

About 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine (PubChem CID 82086895) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine
PubChem CID82086895
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine
SMILESCN1CCNCC1c1ccc2c(c1)OCCCO2
InChIInChI=1S/C14H20N2O2/c1-16-6-5-15-10-12(16)11-3-4-13-14(9-11)18-8-2-7-17-13/h3-4,9,12,15H,2,5-8,10H2,1H3
InChIKeyNIEBBFKGGCEOGZ-UHFFFAOYSA-N
XLogP1.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-1-methylpiperazine
CID 70977935
2-chloro-4-(1-methylpiperazin-2-yl)phenol
CID 82679784
3-(1-methylpiperazin-2-yl)phenol
CID 55262595
N,N-dimethyl-5-(1-methylpiperazin-2-yl)pyridin-2-amine
CID 131540861
2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine
CID 83325529
2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine
CID 116928055
(2R)-1-methyl-2-pyridin-4-ylpiperazine
CID 28804916
4-(1-methylpiperazin-2-yl)benzoic acid
CID 116989147
1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-yl]piperazine
CID 95479293
[2-(3-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone;hydrochloride
CID 120803568
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)azepane
CID 80503780
2-(3,4-dimethoxyphenyl)-1-methyl-1,4-diazepane
CID 82623166

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine?
The IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine (CID 82086895) is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine?
The canonical SMILES for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine is CN1CCNCC1c1ccc2c(c1)OCCCO2.
What is the InChIKey of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine?
The InChIKey is NIEBBFKGGCEOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16-6-5-15-10-12(16)11-3-4-13-14(9-11)18-8-2-7-17-13/h3-4,9,12,15H,2,5-8,10H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine?
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine has a molecular weight of 248.33 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine is sourced from PubChem (CID 82086895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).