[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol

C12H17BrN2O — CID 115622436

IUPAC[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C12H17BrN2O/c13-11-1-2-12(14-7-11)8-15-5-3-10(9-16)4-6-15/h1-2,7,10,16H,3-6,8-9H2
InChIKeyDBODQUCCADEBNN-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.05
Rot. Bonds3

About [1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol

[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol (PubChem CID 115622436) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is [1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol
PubChem CID115622436
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C12H17BrN2O/c13-11-1-2-12(14-7-11)8-15-5-3-10(9-16)4-6-15/h1-2,7,10,16H,3-6,8-9H2
InChIKeyDBODQUCCADEBNN-UHFFFAOYSA-N
XLogP2.05
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol (CID 115622436) is [1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol is OCC1CCN(Cc2ccc(Br)cn2)CC1.
What is the InChIKey of [1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol?
The InChIKey is DBODQUCCADEBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-11-1-2-12(14-7-11)8-15-5-3-10(9-16)4-6-15/h1-2,7,10,16H,3-6,8-9H2.
What are the key properties of [1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol?
[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol has a molecular weight of 285.18 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 115622436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).