6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride

C17H27Cl2N3 — CID 171277880

IUPAC6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
SMILESCC(C)(C)[C@@H](c1ccc2cc[nH]c2c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H25N3.2ClH/c1-17(2,3)16(20-10-8-18-9-11-20)14-5-4-13-6-7-19-15(13)12-14;;/h4-7,12,16,18-19H,8-11H2,1-3H3;2*1H/t16-;;/m1../s1
InChIKeyONEYWXDJVWWKJZ-GGMCWBHBSA-N
MW344.33 g/mol
LogP4.00
Rot. Bonds2

About 6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride

6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride (PubChem CID 171277880) has the molecular formula C17H27Cl2N3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride.

Molecular Properties

Compound Name6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
PubChem CID171277880
Molecular FormulaC17H27Cl2N3
Molecular Weight344.33 g/mol
Exact Mass343.16
IUPAC Name6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
SMILESCC(C)(C)[C@@H](c1ccc2cc[nH]c2c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H25N3.2ClH/c1-17(2,3)16(20-10-8-18-9-11-20)14-5-4-13-6-7-19-15(13)12-14;;/h4-7,12,16,18-19H,8-11H2,1-3H3;2*1H/t16-;;/m1../s1
InChIKeyONEYWXDJVWWKJZ-GGMCWBHBSA-N
XLogP4.00
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171277846
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 171277845
(3R)-3-(1H-indol-5-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190618
6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride
CID 171303683
6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride
CID 171307830
(3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189591
6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole
CID 171305318
6-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]-1H-indole;dihydrochloride
CID 171277884
4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride
CID 171168105
6-[(1S)-1-piperazin-1-ylbut-3-enyl]-1H-indole;dihydrochloride
CID 171277858
6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride
CID 171277868
1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273335

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride?
The IUPAC name of 6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride (CID 171277880) is 6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride.
What is the SMILES notation for 6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride?
The canonical SMILES for 6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride is CC(C)(C)[C@@H](c1ccc2cc[nH]c2c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride?
The InChIKey is ONEYWXDJVWWKJZ-GGMCWBHBSA-N. The full InChI is InChI=1S/C17H25N3.2ClH/c1-17(2,3)16(20-10-8-18-9-11-20)14-5-4-13-6-7-19-15(13)12-14;;/h4-7,12,16,18-19H,8-11H2,1-3H3;2*1H/t16-;;/m1../s1.
What are the key properties of 6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride?
6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride has a molecular weight of 344.33 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride is sourced from PubChem (CID 171277880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).