5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine

C13H19BrN2 — CID 115666639

IUPAC5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine
SMILESCC1CCC(C)N(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C13H19BrN2/c1-10-3-4-11(2)16(8-10)9-13-6-5-12(14)7-15-13/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyYGSIOOJSLBZSTI-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.46
Rot. Bonds2

About 5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine

5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine (PubChem CID 115666639) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine
PubChem CID115666639
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine
SMILESCC1CCC(C)N(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C13H19BrN2/c1-10-3-4-11(2)16(8-10)9-13-6-5-12(14)7-15-13/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyYGSIOOJSLBZSTI-UHFFFAOYSA-N
XLogP3.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]-3-tert-butyl-7-methyl-1,4-diazepane
CID 104812657
1-[(5-bromo-2-pyridinyl)methyl]-2-methyl-5-propylpiperazine
CID 104812364
5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
CID 102785132
4-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]phenol
CID 82983101
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898383
1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 115741486
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 104808848
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 115622551
1-benzyl-2,5-dimethylpiperidine
CID 73200484
5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine
CID 164659359
1-[(5-bromo-2-pyridinyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 104808936
5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 115642522

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine (CID 115666639) is 5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine is CC1CCC(C)N(Cc2ccc(Br)cn2)C1.
What is the InChIKey of 5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine?
The InChIKey is YGSIOOJSLBZSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-3-4-11(2)16(8-10)9-13-6-5-12(14)7-15-13/h5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of 5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine?
5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine has a molecular weight of 283.21 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 115666639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).