1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine

C24H37BrN2 — CID 102359936

IUPAC1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine
SMILESCCC1CCN(CCC2CCN(C3CCc4cc(Br)ccc4C3)CC2)CC1
InChIInChI=1S/C24H37BrN2/c1-2-19-7-12-26(13-8-19)14-9-20-10-15-27(16-11-20)24-6-4-21-17-23(25)5-3-22(21)18-24/h3,5,17,19-20,24H,2,4,6-16,18H2,1H3
InChIKeyNLBJRMPOVZALLX-UHFFFAOYSA-N
MW433.48 g/mol
LogP5.53
Rot. Bonds5

About 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine

1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine (PubChem CID 102359936) has the molecular formula C24H37BrN2 and a molecular weight of 433.48 g/mol. Its IUPAC name is 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine
PubChem CID102359936
Molecular FormulaC24H37BrN2
Molecular Weight433.48 g/mol
Exact Mass432.21
IUPAC Name1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine
SMILESCCC1CCN(CCC2CCN(C3CCc4cc(Br)ccc4C3)CC2)CC1
InChIInChI=1S/C24H37BrN2/c1-2-19-7-12-26(13-8-19)14-9-20-10-15-27(16-11-20)24-6-4-21-17-23(25)5-3-22(21)18-24/h3,5,17,19-20,24H,2,4,6-16,18H2,1H3
InChIKeyNLBJRMPOVZALLX-UHFFFAOYSA-N
XLogP5.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine?
The IUPAC name of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine (CID 102359936) is 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine.
What is the SMILES notation for 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine?
The canonical SMILES for 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine is CCC1CCN(CCC2CCN(C3CCc4cc(Br)ccc4C3)CC2)CC1.
What is the InChIKey of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine?
The InChIKey is NLBJRMPOVZALLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37BrN2/c1-2-19-7-12-26(13-8-19)14-9-20-10-15-27(16-11-20)24-6-4-21-17-23(25)5-3-22(21)18-24/h3,5,17,19-20,24H,2,4,6-16,18H2,1H3.
What are the key properties of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine?
1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine has a molecular weight of 433.48 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidine is sourced from PubChem (CID 102359936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).