6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene

C21H24BrFN2 — CID 174406015

IUPAC6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene
SMILESCCN1CCC(n2ccc3ccc(Br)cc32)CC1.Fc1ccccc1
InChIInChI=1S/C15H19BrN2.C6H5F/c1-2-17-8-6-14(7-9-17)18-10-5-12-3-4-13(16)11-15(12)18;7-6-4-2-1-3-5-6/h3-5,10-11,14H,2,6-9H2,1H3;1-5H
InChIKeyPDPMDMZZPSJTMR-UHFFFAOYSA-N
MW403.34 g/mol
LogP5.89
Rot. Bonds2

About 6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene

6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene (PubChem CID 174406015) has the molecular formula C21H24BrFN2 and a molecular weight of 403.34 g/mol. Its IUPAC name is 6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene.

Molecular Properties

Compound Name6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene
PubChem CID174406015
Molecular FormulaC21H24BrFN2
Molecular Weight403.34 g/mol
Exact Mass402.11
IUPAC Name6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene
SMILESCCN1CCC(n2ccc3ccc(Br)cc32)CC1.Fc1ccccc1
InChIInChI=1S/C15H19BrN2.C6H5F/c1-2-17-8-6-14(7-9-17)18-10-5-12-3-4-13(16)11-15(12)18;7-6-4-2-1-3-5-6/h3-5,10-11,14H,2,6-9H2,1H3;1-5H
InChIKeyPDPMDMZZPSJTMR-UHFFFAOYSA-N
XLogP5.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.34
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(1-ethylpiperidin-4-yl)indol-6-yl]ethanol
CID 174405301
6-bromo-1-(1-methylpyrrolidin-3-yl)indole
CID 137382323
6-bromo-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]indole
CID 139805683
3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid
CID 174406031
1-(1-butylpiperidin-4-yl)indole
CID 23215946
ethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate
CID 174420419
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde
CID 22038296
1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole
CID 22038151
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide
CID 22037940
1-(1-benzylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indole
CID 18796598
N-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide
CID 90845273
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide
CID 22038327

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene?
The IUPAC name of 6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene (CID 174406015) is 6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene.
What is the SMILES notation for 6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene?
The canonical SMILES for 6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene is CCN1CCC(n2ccc3ccc(Br)cc32)CC1.Fc1ccccc1.
What is the InChIKey of 6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene?
The InChIKey is PDPMDMZZPSJTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2.C6H5F/c1-2-17-8-6-14(7-9-17)18-10-5-12-3-4-13(16)11-15(12)18;7-6-4-2-1-3-5-6/h3-5,10-11,14H,2,6-9H2,1H3;1-5H.
What are the key properties of 6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene?
6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene has a molecular weight of 403.34 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene is sourced from PubChem (CID 174406015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).