5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine

C14H21BrN2 — CID 63464475

IUPAC5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine
SMILESCCC1(CC)CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H21BrN2/c1-3-14(4-2)7-9-17(10-8-14)13-6-5-12(15)11-16-13/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyZHWPDYISYZDOSL-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.25
Rot. Bonds3

About 5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine

5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine (PubChem CID 63464475) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine
PubChem CID63464475
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine
SMILESCCC1(CC)CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H21BrN2/c1-3-14(4-2)7-9-17(10-8-14)13-6-5-12(15)11-16-13/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyZHWPDYISYZDOSL-UHFFFAOYSA-N
XLogP4.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)azocane
CID 55137358
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63161227
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 59292213
1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine
CID 164854692
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboximidamide
CID 63160900
N-[[6-(4,4-diethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 63160054
5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61374151
1-(5-bromo-2-pyridinyl)-4-methylazepane
CID 55249997
5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine
CID 63218652
3-[4-(5-bromo-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870254
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine
CID 60869692

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine?
The IUPAC name of 5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine (CID 63464475) is 5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine?
The canonical SMILES for 5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine is CCC1(CC)CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine?
The InChIKey is ZHWPDYISYZDOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-3-14(4-2)7-9-17(10-8-14)13-6-5-12(15)11-16-13/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine?
5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine has a molecular weight of 297.24 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 63464475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).