5-(4-Methylpiperazin-1-yl)-1H-indole

HCID 22015405
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
412049-06-0
Standard SMILES
CN1CCN(c2ccc3[nH]ccc3c2)CC1
InChIKey
QCBUZBCDMSMRJZ-UHFFFAOYSA-N
Molecular formula
C13H17N3
Average molar mass
215.29 g/mol
Monoisotopic mass
215.14224754

Names & identifiers

Preferred name
5-(4-Methylpiperazin-1-yl)-1H-indole
IUPAC
5-(4-methylpiperazin-1-yl)-1H-indole
English name
5-(4-Methylpiperazin-1-yl)-1H-indole
Molecular formula
C13H17N3
Molecular weight
215.29

Names & synonyms

5-(4-Methylpiperazin-1-yl)-1H-indole412049-06-01H-Indole, 5-(4-methyl-1-piperazinyl)-MFCD17392869SCHEMBL949366DTXSID40621516QCBUZBCDMSMRJZ-UHFFFAOYSA-N5-(4-Methylpiperazin-1-yl)-indoleAKOS0160067245-(4-Methyl-piperazin-1-yl)-1H-indoleAS-63572DB-332665
Show more names
CS-0151078C75092F232474

Database identifiers

CAS
412049-06-0
PubChem CID
22015405
DTXSID
DTXSID40621516

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
22.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
16

Physicochemical properties

Boiling point
391.8 · 391.8±32.0 °C(Predicted)
Density
1.162 · 1.162±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
pka
17.66 · 17.66±0.30(Predicted)
Appearance
Light yellow to brown Solid

Chemistry & industry

Suppliers22 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

Loading…