1-[3-(4-Methylpiperazin-1-yl)-2,3,4,5-tetrahydrooxepin-3-yl]methanamine

HCID 58415926
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Basic information

Standard SMILES
CN1CCN(C2(CN)CCC=COC2)CC1
InChIKey
RJGBIVKOEMQXEB-UHFFFAOYSA-N
Molecular formula
C12H23N3O
Average molar mass
225.33 g/mol

Names & identifiers

Preferred name
1-[3-(4-Methylpiperazin-1-yl)-2,3,4,5-tetrahydrooxepin-3-yl]methanamine
IUPAC
[3-(4-methylpiperazin-1-yl)-4,5-dihydro-2H-oxepin-3-yl]methanamine

Names & synonyms

SCHEMBL2403933RJGBIVKOEMQXEB-UHFFFAOYSA-N1-[3-(4-Methylpiperazin-1-yl)-2,3,4,5-tetrahydrooxepin-3-yl]methanamine

Database identifiers

PubChem CID
58415926

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
41.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16

Related reactions

3 records
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Compound notes

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