6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride

C17H27Cl2N3 — CID 171307830

IUPAC6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride
SMILESCCCC[C@H](c1ccc2cc[nH]c2c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H25N3.2ClH/c1-2-3-4-17(20-11-9-18-10-12-20)15-6-5-14-7-8-19-16(14)13-15;;/h5-8,13,17-19H,2-4,9-12H2,1H3;2*1H/t17-;;/m1../s1
InChIKeyNGXVRKCBUBWHCS-ZEECNFPPSA-N
MW344.33 g/mol
LogP4.15
Rot. Bonds5

About 6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride

6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride (PubChem CID 171307830) has the molecular formula C17H27Cl2N3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride.

Molecular Properties

Compound Name6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride
PubChem CID171307830
Molecular FormulaC17H27Cl2N3
Molecular Weight344.33 g/mol
Exact Mass343.16
IUPAC Name6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride
SMILESCCCC[C@H](c1ccc2cc[nH]c2c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H25N3.2ClH/c1-2-3-4-17(20-11-9-18-10-12-20)15-6-5-14-7-8-19-16(14)13-15;;/h5-8,13,17-19H,2-4,9-12H2,1H3;2*1H/t17-;;/m1../s1
InChIKeyNGXVRKCBUBWHCS-ZEECNFPPSA-N
XLogP4.15
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189591
6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride
CID 171303683
1-[(1R)-1-naphthalen-2-ylpentyl]piperazine;dihydrochloride
CID 171307529
6-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]-1H-indole;dihydrochloride
CID 171277884
6-[(1S)-1-piperazin-1-ylbut-3-enyl]-1H-indole;dihydrochloride
CID 171277858
1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine
CID 171307368
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171277846
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 171277845
1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171308863
1-[(1R)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171307566
1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride
CID 171308868

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride?
The IUPAC name of 6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride (CID 171307830) is 6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride.
What is the SMILES notation for 6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride?
The canonical SMILES for 6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride is CCCC[C@H](c1ccc2cc[nH]c2c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride?
The InChIKey is NGXVRKCBUBWHCS-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H25N3.2ClH/c1-2-3-4-17(20-11-9-18-10-12-20)15-6-5-14-7-8-19-16(14)13-15;;/h5-8,13,17-19H,2-4,9-12H2,1H3;2*1H/t17-;;/m1../s1.
What are the key properties of 6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride?
6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride has a molecular weight of 344.33 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride is sourced from PubChem (CID 171307830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).