6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride

C16H22Cl2F3N3 — CID 171303683

IUPAC6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride
SMILESCl.Cl.FC(F)(F)CC[C@H](c1ccc2cc[nH]c2c1)N1CCNCC1
InChIInChI=1S/C16H20F3N3.2ClH/c17-16(18,19)5-3-15(22-9-7-20-8-10-22)13-2-1-12-4-6-21-14(12)11-13;;/h1-2,4,6,11,15,20-21H,3,5,7-10H2;2*1H/t15-;;/m1../s1
InChIKeyBCYJNFURZKIQMX-QCUBGVIVSA-N
MW384.27 g/mol
LogP4.30
Rot. Bonds4

About 6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride

6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride (PubChem CID 171303683) has the molecular formula C16H22Cl2F3N3 and a molecular weight of 384.27 g/mol. Its IUPAC name is 6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride.

Molecular Properties

Compound Name6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride
PubChem CID171303683
Molecular FormulaC16H22Cl2F3N3
Molecular Weight384.27 g/mol
Exact Mass383.11
IUPAC Name6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride
SMILESCl.Cl.FC(F)(F)CC[C@H](c1ccc2cc[nH]c2c1)N1CCNCC1
InChIInChI=1S/C16H20F3N3.2ClH/c17-16(18,19)5-3-15(22-9-7-20-8-10-22)13-2-1-12-4-6-21-14(12)11-13;;/h1-2,4,6,11,15,20-21H,3,5,7-10H2;2*1H/t15-;;/m1../s1
InChIKeyBCYJNFURZKIQMX-QCUBGVIVSA-N
XLogP4.30
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.30
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)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride
CID 171307830
1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride
CID 171168796
6-[(1S)-1-piperazin-1-ylbut-3-enyl]-1H-indole;dihydrochloride
CID 171277858
1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171302367
6-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]-1H-indole;dihydrochloride
CID 171277884
1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride
CID 171168427
1-[(1S)-1-(3,4-dibromophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303163
1-[(1S)-4,4,4-trifluoro-1-(4-iodophenyl)butyl]piperazine;hydrochloride
CID 171163757
2-fluoro-4-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;hydrochloride
CID 171162839
1-[(1S)-1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171164324
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171277846

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride?
The IUPAC name of 6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride (CID 171303683) is 6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride.
What is the SMILES notation for 6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride?
The canonical SMILES for 6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride is Cl.Cl.FC(F)(F)CC[C@H](c1ccc2cc[nH]c2c1)N1CCNCC1.
What is the InChIKey of 6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride?
The InChIKey is BCYJNFURZKIQMX-QCUBGVIVSA-N. The full InChI is InChI=1S/C16H20F3N3.2ClH/c17-16(18,19)5-3-15(22-9-7-20-8-10-22)13-2-1-12-4-6-21-14(12)11-13;;/h1-2,4,6,11,15,20-21H,3,5,7-10H2;2*1H/t15-;;/m1../s1.
What are the key properties of 6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride?
6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride has a molecular weight of 384.27 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride is sourced from PubChem (CID 171303683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).