5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole

C25H25BrN2 — CID 67753647

IUPAC5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole
SMILESBrc1ccc2[nH]cc(C3CCN(CCc4cccc5ccccc45)CC3)c2c1
InChIInChI=1S/C25H25BrN2/c26-21-8-9-25-23(16-21)24(17-27-25)20-11-14-28(15-12-20)13-10-19-6-3-5-18-4-1-2-7-22(18)19/h1-9,16-17,20,27H,10-15H2
InChIKeySVLJNDISXGMODZ-UHFFFAOYSA-N
MW433.39 g/mol
LogP6.51
Rot. Bonds4

About 5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole

5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole (PubChem CID 67753647) has the molecular formula C25H25BrN2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole
PubChem CID67753647
Molecular FormulaC25H25BrN2
Molecular Weight433.39 g/mol
Exact Mass432.12
IUPAC Name5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole
SMILESBrc1ccc2[nH]cc(C3CCN(CCc4cccc5ccccc45)CC3)c2c1
InChIInChI=1S/C25H25BrN2/c26-21-8-9-25-23(16-21)24(17-27-25)20-11-14-28(15-12-20)13-10-19-6-3-5-18-4-1-2-7-22(18)19/h1-9,16-17,20,27H,10-15H2
InChIKeySVLJNDISXGMODZ-UHFFFAOYSA-N
XLogP6.51
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.39
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15745344
5-bromo-3-cyclopropyl-1H-indole
CID 103863095
5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 15326275
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277470
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
5-bromo-3-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]-1H-indole;oxalic acid
CID 67758752
3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole
CID 67753310
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-5-methoxy-1H-indole;hydrochloride
CID 131720346
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
CID 95432462

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole?
The IUPAC name of 5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole (CID 67753647) is 5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole?
The canonical SMILES for 5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole is Brc1ccc2[nH]cc(C3CCN(CCc4cccc5ccccc45)CC3)c2c1.
What is the InChIKey of 5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole?
The InChIKey is SVLJNDISXGMODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2/c26-21-8-9-25-23(16-21)24(17-27-25)20-11-14-28(15-12-20)13-10-19-6-3-5-18-4-1-2-7-22(18)19/h1-9,16-17,20,27H,10-15H2.
What are the key properties of 5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole?
5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole has a molecular weight of 433.39 g/mol, XLogP of 6.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole is sourced from PubChem (CID 67753647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).