[5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol

C14H21BrN2O — CID 103501414

IUPAC[5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol
SMILESCC(C)C1CCN(c2ncc(Br)cc2CO)CC1
InChIInChI=1S/C14H21BrN2O/c1-10(2)11-3-5-17(6-4-11)14-12(9-18)7-13(15)8-16-14/h7-8,10-11,18H,3-6,9H2,1-2H3
InChIKeyDFIHOOMLWAYNBQ-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.21
Rot. Bonds3

About [5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol

[5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol (PubChem CID 103501414) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is [5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol
PubChem CID103501414
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name[5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol
SMILESCC(C)C1CCN(c2ncc(Br)cc2CO)CC1
InChIInChI=1S/C14H21BrN2O/c1-10(2)11-3-5-17(6-4-11)14-12(9-18)7-13(15)8-16-14/h7-8,10-11,18H,3-6,9H2,1-2H3
InChIKeyDFIHOOMLWAYNBQ-UHFFFAOYSA-N
XLogP3.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62285532
[2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol
CID 114196715
5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 104924733
1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 103582784
[5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 106588323
1-[5-bromo-2-(4-propylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 55054505
N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62285747
N-[[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287831
N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62284209
5-bromo-3-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 55155359
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol
CID 104918893
[5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol
CID 55078218

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol (CID 103501414) is [5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol is CC(C)C1CCN(c2ncc(Br)cc2CO)CC1.
What is the InChIKey of [5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol?
The InChIKey is DFIHOOMLWAYNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10(2)11-3-5-17(6-4-11)14-12(9-18)7-13(15)8-16-14/h7-8,10-11,18H,3-6,9H2,1-2H3.
What are the key properties of [5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol?
[5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol has a molecular weight of 313.24 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 103501414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).