5-[(1R)-1-piperazin-1-ylprop-2-enyl]-1H-indole

C15H19N3 — CID 171290434

IUPAC5-[(1R)-1-piperazin-1-ylprop-2-enyl]-1H-indole
SMILESC=C[C@H](c1ccc2[nH]ccc2c1)N1CCNCC1
InChIInChI=1S/C15H19N3/c1-2-15(18-9-7-16-8-10-18)13-3-4-14-12(11-13)5-6-17-14/h2-6,11,15-17H,1,7-10H2/t15-/m1/s1
InChIKeyPWGLUGGKZLFWEZ-OAHLLOKOSA-N
MW241.34 g/mol
LogP2.30
Rot. Bonds3

About 5-[(1R)-1-piperazin-1-ylprop-2-enyl]-1H-indole

5-[(1R)-1-piperazin-1-ylprop-2-enyl]-1H-indole (PubChem CID 171290434) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-[(1R)-1-piperazin-1-ylprop-2-enyl]-1H-indole.

Molecular Properties

Compound Name5-[(1R)-1-piperazin-1-ylprop-2-enyl]-1H-indole
PubChem CID171290434
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name5-[(1R)-1-piperazin-1-ylprop-2-enyl]-1H-indole
SMILESC=C[C@H](c1ccc2[nH]ccc2c1)N1CCNCC1
InChIInChI=1S/C15H19N3/c1-2-15(18-9-7-16-8-10-18)13-3-4-14-12(11-13)5-6-17-14/h2-6,11,15-17H,1,7-10H2/t15-/m1/s1
InChIKeyPWGLUGGKZLFWEZ-OAHLLOKOSA-N
XLogP2.30
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]-1H-indole
CID 171277843
4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131631160
1-[(1S)-1-(3-chloro-4-fluorophenyl)prop-2-enyl]piperazine
CID 171163445
1-[(1S)-1-(4-chloro-3-fluorophenyl)prop-2-enyl]piperazine
CID 171166426
1-[(1S)-1-(4-bromo-3-fluorophenyl)prop-2-enyl]piperazine
CID 171163518
1-[(1S)-1-(3-iodophenyl)prop-2-enyl]piperazine
CID 131360304
1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171273419
1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171289468
(3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190618
6-[(1S)-1-piperazin-1-ylbut-3-enyl]-1H-indole;dihydrochloride
CID 171277858
1-[(1R)-1-(3-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171286216
3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171285428

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-piperazin-1-ylprop-2-enyl]-1H-indole?
The IUPAC name of 5-[(1R)-1-piperazin-1-ylprop-2-enyl]-1H-indole (CID 171290434) is 5-[(1R)-1-piperazin-1-ylprop-2-enyl]-1H-indole.
What is the SMILES notation for 5-[(1R)-1-piperazin-1-ylprop-2-enyl]-1H-indole?
The canonical SMILES for 5-[(1R)-1-piperazin-1-ylprop-2-enyl]-1H-indole is C=C[C@H](c1ccc2[nH]ccc2c1)N1CCNCC1.
What is the InChIKey of 5-[(1R)-1-piperazin-1-ylprop-2-enyl]-1H-indole?
The InChIKey is PWGLUGGKZLFWEZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-15(18-9-7-16-8-10-18)13-3-4-14-12(11-13)5-6-17-14/h2-6,11,15-17H,1,7-10H2/t15-/m1/s1.
What are the key properties of 5-[(1R)-1-piperazin-1-ylprop-2-enyl]-1H-indole?
5-[(1R)-1-piperazin-1-ylprop-2-enyl]-1H-indole has a molecular weight of 241.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-piperazin-1-ylprop-2-enyl]-1H-indole is sourced from PubChem (CID 171290434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).