[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol

C12H17BrN2O — CID 170995627

IUPAC[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol
SMILESCC1CCN(c2ccc(Br)nc2CO)CC1
InChIInChI=1S/C12H17BrN2O/c1-9-4-6-15(7-5-9)11-2-3-12(13)14-10(11)8-16/h2-3,9,16H,4-8H2,1H3
InChIKeySOSPCOLFPAXKDF-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.57
Rot. Bonds2

About [6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol

[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol (PubChem CID 170995627) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is [6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol
PubChem CID170995627
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol
SMILESCC1CCN(c2ccc(Br)nc2CO)CC1
InChIInChI=1S/C12H17BrN2O/c1-9-4-6-15(7-5-9)11-2-3-12(13)14-10(11)8-16/h2-3,9,16H,4-8H2,1H3
InChIKeySOSPCOLFPAXKDF-UHFFFAOYSA-N
XLogP2.57
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol (CID 170995627) is [6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol is CC1CCN(c2ccc(Br)nc2CO)CC1.
What is the InChIKey of [6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol?
The InChIKey is SOSPCOLFPAXKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9-4-6-15(7-5-9)11-2-3-12(13)14-10(11)8-16/h2-3,9,16H,4-8H2,1H3.
What are the key properties of [6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol?
[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol has a molecular weight of 285.19 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 170995627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).