3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride

C14H21Cl2N3 — CID 171284996

IUPAC3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
SMILESC[C@H](c1c[nH]c2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H19N3.2ClH/c1-11(17-8-6-15-7-9-17)13-10-16-14-5-3-2-4-12(13)14;;/h2-5,10-11,15-16H,6-9H2,1H3;2*1H/t11-;;/m1../s1
InChIKeyHPRHTSQMPCDQDI-NVJADKKVSA-N
MW302.25 g/mol
LogP2.98
Rot. Bonds2

About 3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride

3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride (PubChem CID 171284996) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride.

Molecular Properties

Compound Name3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
PubChem CID171284996
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Name3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
SMILESC[C@H](c1c[nH]c2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H19N3.2ClH/c1-11(17-8-6-15-7-9-17)13-10-16-14-5-3-2-4-12(13)14;;/h2-5,10-11,15-16H,6-9H2,1H3;2*1H/t11-;;/m1../s1
InChIKeyHPRHTSQMPCDQDI-NVJADKKVSA-N
XLogP2.98
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol
CID 82264006
3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258
3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
CID 171310601
5-bromo-3-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 95431731
3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
CID 171272371
5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171286352
3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole
CID 171285016
3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride
CID 171285012
3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
CID 171285009
3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole
CID 82300147
3-(4-piperazin-1-ylbutan-2-yl)-1H-indole
CID 82300146
3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole
CID 171302294

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride?
The IUPAC name of 3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride (CID 171284996) is 3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride.
What is the SMILES notation for 3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride?
The canonical SMILES for 3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride is C[C@H](c1c[nH]c2ccccc12)N1CCNCC1.Cl.Cl.
What is the InChIKey of 3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride?
The InChIKey is HPRHTSQMPCDQDI-NVJADKKVSA-N. The full InChI is InChI=1S/C14H19N3.2ClH/c1-11(17-8-6-15-7-9-17)13-10-16-14-5-3-2-4-12(13)14;;/h2-5,10-11,15-16H,6-9H2,1H3;2*1H/t11-;;/m1../s1.
What are the key properties of 3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride?
3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride has a molecular weight of 302.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride is sourced from PubChem (CID 171284996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).