3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine

C15H23BrN2 — CID 115630376

IUPAC3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
SMILESCC(C)(C)C1CCN(Cc2cncc(Br)c2)CC1
InChIInChI=1S/C15H23BrN2/c1-15(2,3)13-4-6-18(7-5-13)11-12-8-14(16)10-17-9-12/h8-10,13H,4-7,11H2,1-3H3
InChIKeyJVJKMZRTQKBTOY-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.10
Rot. Bonds2

About 3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine

3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine (PubChem CID 115630376) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
PubChem CID115630376
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
SMILESCC(C)(C)C1CCN(Cc2cncc(Br)c2)CC1
InChIInChI=1S/C15H23BrN2/c1-15(2,3)13-4-6-18(7-5-13)11-12-8-14(16)10-17-9-12/h8-10,13H,4-7,11H2,1-3H3
InChIKeyJVJKMZRTQKBTOY-UHFFFAOYSA-N
XLogP4.10
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine
CID 70894132
1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 115609180
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
3-bromo-5-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
CID 114682308
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 104798204
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 115741359
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 104798210
1-(2-bromoethyl)-4-[(5-bromo-3-pyridinyl)methyl]piperazine
CID 104811250
3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 171323447
3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine
CID 130159726
7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane
CID 130956415
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130770082

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine (CID 115630376) is 3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine is CC(C)(C)C1CCN(Cc2cncc(Br)c2)CC1.
What is the InChIKey of 3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine?
The InChIKey is JVJKMZRTQKBTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-15(2,3)13-4-6-18(7-5-13)11-12-8-14(16)10-17-9-12/h8-10,13H,4-7,11H2,1-3H3.
What are the key properties of 3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine?
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine has a molecular weight of 311.27 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 115630376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).