3-(4-Piperidinyl)-1H-indole

HCID 702235

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Basic information

CAS: 17403-09-7
Standard SMILES: c1ccc2c(C3CCNCC3)c[nH]c2c1
InChIKey: KAIRZPVWWIMPFT-UHFFFAOYSA-N
Molecular formula: C13H16N2
Average molar mass: 200.28 g/mol

Names & identifiers

Preferred name: 3-(4-Piperidinyl)-1H-indole
IUPAC: 3-piperidin-4-yl-1H-indole
English name: 3-Piperidin-4-yl-1H-indole
Molecular formula: C13H16N2
Molecular weight: 200.28

Names & synonyms

17403-09-73-(4-Piperidinyl)-1H-indoleRefChem:2748873-(piperidin-4-yl)-1h-indole3-Piperidin-4-yl-1H-indole3-(4-piperidyl)indole4-(3-indolyl)piperidine4-(3-Indo)piperidine3-(piperid-4-yl)indoleMFCD017646703-(4-piperidino)indoleCHEMBL2011564

Show more names

3-(4-Piperidyl)indole>3-(4-piperidyl)-1H-indole3-(4'-Piperdinyl)-1H-Indole

1H-Indole,3-(4-piperidinyl)-Peakdale1_0022653-(piperidinyl)Indole4(3-indolyl)piperidine3-(4-piperidinyl)indole4-(3-indolyl)-piperidine4-(indol-3-yl)piperidineOprea1_495253

Database identifiers

CAS: 17403-09-7
PubChem CID: 702235
ChEMBL: CHEMBL15988、CHEMBL2011564
Nikkaji: J287.035E

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 27.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 211

Physicochemical properties

Melting point: 222 · 222-224°C
Boiling point: 388.6 · 388.6±35.0 °C(Predicted)
Density: 1.118 · 1.118±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: powder to crystal
pka: 17.06 · 17.06±0.30(Predicted)
color: White to Light yellow
CAS DataBase Reference: 17403 · 17403-09-7(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H227
Precautionary statements: 501 · P501-P210-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Hazard Codes: Xi,C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3259 · 3259
Hazard Note: Irritant
HS Code: 2933998090 · 2933998090

Safety & regulation

Safety data

ridadr: 3259
hs_code: 2933998090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 26-36/37/39-45
Hazard statements: H314-H227
Precautionary statements: P501-P210-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405