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

C12H17BrN2O — CID 79719028

IUPAC[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
SMILESCc1cc(Br)cnc1N1CCCC(CO)C1
InChIInChI=1S/C12H17BrN2O/c1-9-5-11(13)6-14-12(9)15-4-2-3-10(7-15)8-16/h5-6,10,16H,2-4,7-8H2,1H3
InChIKeyQJUSYVBXOKFUQV-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.36
Rot. Bonds2

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

[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol (PubChem CID 79719028) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
PubChem CID79719028
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
SMILESCc1cc(Br)cnc1N1CCCC(CO)C1
InChIInChI=1S/C12H17BrN2O/c1-9-5-11(13)6-14-12(9)15-4-2-3-10(7-15)8-16/h5-6,10,16H,2-4,7-8H2,1H3
InChIKeyQJUSYVBXOKFUQV-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 79718833
N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360369
[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
CID 80630100
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanamine
CID 79717951
[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
CID 80631004
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 79718817
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133359713
[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 62253909
[5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 106588323
2-[1-(5-amino-3-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 107226933
1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
CID 103896085
[1-(5-amino-4-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79172728

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol (CID 79719028) is [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol is Cc1cc(Br)cnc1N1CCCC(CO)C1.
What is the InChIKey of [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol?
The InChIKey is QJUSYVBXOKFUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9-5-11(13)6-14-12(9)15-4-2-3-10(7-15)8-16/h5-6,10,16H,2-4,7-8H2,1H3.
What are the key properties of [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol?
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol has a molecular weight of 285.19 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol is sourced from PubChem (CID 79719028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).