2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol

C12H17BrN2O — CID 104802357

IUPAC2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol
SMILESOC(Cc1cncc(Br)c1)C1CCNCC1
InChIInChI=1S/C12H17BrN2O/c13-11-5-9(7-15-8-11)6-12(16)10-1-3-14-4-2-10/h5,7-8,10,12,14,16H,1-4,6H2
InChIKeyDNXBLMZTCWVFGQ-UHFFFAOYSA-N
MW285.18 g/mol
LogP1.75
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol

2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol (PubChem CID 104802357) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol
PubChem CID104802357
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol
SMILESOC(Cc1cncc(Br)c1)C1CCNCC1
InChIInChI=1S/C12H17BrN2O/c13-11-5-9(7-15-8-11)6-12(16)10-1-3-14-4-2-10/h5,7-8,10,12,14,16H,1-4,6H2
InChIKeyDNXBLMZTCWVFGQ-UHFFFAOYSA-N
XLogP1.75
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
CID 104800221
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 104800225
2-(4-bromophenyl)-1-piperidin-4-ylethanol
CID 79016497
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 104800243
2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol
CID 104800252
2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol
CID 115833496
(R)-(5-bromo-3-pyridinyl)-piperidin-4-ylmethanamine
CID 171314087
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
(1R)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1-cyclopropylethanol
CID 90893860
2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
CID 104801480
3-(5-bromo-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol
CID 113456071
3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol (CID 104802357) is 2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol is OC(Cc1cncc(Br)c1)C1CCNCC1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol?
The InChIKey is DNXBLMZTCWVFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-11-5-9(7-15-8-11)6-12(16)10-1-3-14-4-2-10/h5,7-8,10,12,14,16H,1-4,6H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol?
2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol has a molecular weight of 285.18 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol is sourced from PubChem (CID 104802357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).