4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride

C15H23Cl2N3 — CID 171290393

IUPAC4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
SMILESCC[C@H](c1cccc2[nH]ccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H21N3.2ClH/c1-2-15(18-10-8-16-9-11-18)13-4-3-5-14-12(13)6-7-17-14;;/h3-7,15-17H,2,8-11H2,1H3;2*1H/t15-;;/m1../s1
InChIKeySTLDKELRGLRLFE-QCUBGVIVSA-N
MW316.28 g/mol
LogP3.37
Rot. Bonds3

About 4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride

4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride (PubChem CID 171290393) has the molecular formula C15H23Cl2N3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
PubChem CID171290393
Molecular FormulaC15H23Cl2N3
Molecular Weight316.28 g/mol
Exact Mass315.13
IUPAC Name4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
SMILESCC[C@H](c1cccc2[nH]ccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H21N3.2ClH/c1-2-15(18-10-8-16-9-11-18)13-4-3-5-14-12(13)6-7-17-14;;/h3-7,15-17H,2,8-11H2,1H3;2*1H/t15-;;/m1../s1
InChIKeySTLDKELRGLRLFE-QCUBGVIVSA-N
XLogP3.37
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole
CID 171307823
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole
CID 171277795
3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258
3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole
CID 82300147
4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171277772
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride
CID 171287830
1-[(1R)-1-pyren-1-ylpropyl]piperazine;dihydrochloride
CID 171297122
1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine
CID 171164114
1-[(1R)-1-(2,3-dimethylphenyl)propyl]piperazine
CID 96660511
1-[(1R)-1-(2-methylphenyl)propyl]piperazine
CID 92754595
1-[(1S)-1-(1,3-benzodioxol-4-yl)propyl]piperazine;dihydrochloride
CID 171282206
2-ethyl-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171298318

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride?
The IUPAC name of 4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride (CID 171290393) is 4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride.
What is the SMILES notation for 4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride?
The canonical SMILES for 4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride is CC[C@H](c1cccc2[nH]ccc12)N1CCNCC1.Cl.Cl.
What is the InChIKey of 4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride?
The InChIKey is STLDKELRGLRLFE-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H21N3.2ClH/c1-2-15(18-10-8-16-9-11-18)13-4-3-5-14-12(13)6-7-17-14;;/h3-7,15-17H,2,8-11H2,1H3;2*1H/t15-;;/m1../s1.
What are the key properties of 4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride?
4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride has a molecular weight of 316.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride is sourced from PubChem (CID 171290393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).