3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride

C15H21Cl2N3 — CID 171272371

IUPAC3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
SMILESC=C[C@@H](c1c[nH]c2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H19N3.2ClH/c1-2-15(18-9-7-16-8-10-18)13-11-17-14-6-4-3-5-12(13)14;;/h2-6,11,15-17H,1,7-10H2;2*1H/t15-;;/m0../s1
InChIKeyGCTVDHCRAMMBHO-CKUXDGONSA-N
MW314.26 g/mol
LogP3.14
Rot. Bonds3

About 3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride

3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride (PubChem CID 171272371) has the molecular formula C15H21Cl2N3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride.

Molecular Properties

Compound Name3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
PubChem CID171272371
Molecular FormulaC15H21Cl2N3
Molecular Weight314.26 g/mol
Exact Mass313.11
IUPAC Name3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
SMILESC=C[C@@H](c1c[nH]c2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H19N3.2ClH/c1-2-15(18-9-7-16-8-10-18)13-11-17-14-6-4-3-5-12(13)14;;/h2-6,11,15-17H,1,7-10H2;2*1H/t15-;;/m0../s1
InChIKeyGCTVDHCRAMMBHO-CKUXDGONSA-N
XLogP3.14
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.14
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-methoxy-3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
CID 171273728
3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996
1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride
CID 171294037
3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258
1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171294072
2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131622980
3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
CID 171285009
3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride
CID 171285012
1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol
CID 82264006
3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole
CID 82300147
1-[(1R)-1-(2-fluorophenyl)prop-2-enyl]piperazine
CID 102231371
4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline
CID 171284620

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride?
The IUPAC name of 3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride (CID 171272371) is 3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride.
What is the SMILES notation for 3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride?
The canonical SMILES for 3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride is C=C[C@@H](c1c[nH]c2ccccc12)N1CCNCC1.Cl.Cl.
What is the InChIKey of 3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride?
The InChIKey is GCTVDHCRAMMBHO-CKUXDGONSA-N. The full InChI is InChI=1S/C15H19N3.2ClH/c1-2-15(18-9-7-16-8-10-18)13-11-17-14-6-4-3-5-12(13)14;;/h2-6,11,15-17H,1,7-10H2;2*1H/t15-;;/m0../s1.
What are the key properties of 3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride?
3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride has a molecular weight of 314.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride is sourced from PubChem (CID 171272371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).