2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol

C13H19BrN2O — CID 105367514

IUPAC2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
SMILESCc1cnc(N2CCCC(CCO)C2)c(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-10-7-12(14)13(15-8-10)16-5-2-3-11(9-16)4-6-17/h7-8,11,17H,2-6,9H2,1H3
InChIKeyAPWQOJFUJNEYIZ-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.75
Rot. Bonds3

About 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol

2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol (PubChem CID 105367514) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
PubChem CID105367514
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
SMILESCc1cnc(N2CCCC(CCO)C2)c(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-10-7-12(14)13(15-8-10)16-5-2-3-11(9-16)4-6-17/h7-8,11,17H,2-6,9H2,1H3
InChIKeyAPWQOJFUJNEYIZ-UHFFFAOYSA-N
XLogP2.75
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 105367527
3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 105368810
1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane
CID 105367961
N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide
CID 143229447
2-[1-(5-amino-3-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 107226933
[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
CID 105367532
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79719028
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228161
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 105367346
4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 105367904
2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol
CID 114072871

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol (CID 105367514) is 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol is Cc1cnc(N2CCCC(CCO)C2)c(Br)c1.
What is the InChIKey of 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol?
The InChIKey is APWQOJFUJNEYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10-7-12(14)13(15-8-10)16-5-2-3-11(9-16)4-6-17/h7-8,11,17H,2-6,9H2,1H3.
What are the key properties of 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol?
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol has a molecular weight of 299.21 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 105367514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).