(5-bromo-2-pyridinyl) piperidine-4-carboxylate

C11H13BrN2O2 — CID 153380500

IUPAC(5-bromo-2-pyridinyl) piperidine-4-carboxylate
SMILESO=C(Oc1ccc(Br)cn1)C1CCNCC1
InChIInChI=1S/C11H13BrN2O2/c12-9-1-2-10(14-7-9)16-11(15)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2
InChIKeyPBDYJPWRBOWIFI-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.75
Rot. Bonds2

About (5-bromo-2-pyridinyl) piperidine-4-carboxylate

(5-bromo-2-pyridinyl) piperidine-4-carboxylate (PubChem CID 153380500) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl) piperidine-4-carboxylate.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl) piperidine-4-carboxylate
PubChem CID153380500
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(5-bromo-2-pyridinyl) piperidine-4-carboxylate
SMILESO=C(Oc1ccc(Br)cn1)C1CCNCC1
InChIInChI=1S/C11H13BrN2O2/c12-9-1-2-10(14-7-9)16-11(15)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2
InChIKeyPBDYJPWRBOWIFI-UHFFFAOYSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-2-yl piperidine-4-carboxylate;hydrochloride
CID 174342486
5-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 71303659
(4-bromo-2-pyridinyl) cyclobutanecarboxylate
CID 175605072
(5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate
CID 151605885
5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride
CID 71636388
tert-butyl 4-[(5-bromo-2-pyridinyl)oxymethyl]cyclohexane-1-carboxylate
CID 143824995
(2-hydroxyphenyl) piperidine-4-carboxylate
CID 117125932
5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine
CID 118498951
5-bromo-2-[(3R)-piperidin-3-yl]oxypyridine
CID 71636380
[5-[2-(4-methylcyclohexyl)-2-oxoethyl]-2-pyridinyl] 4-methylcyclohexane-1-carboxylate
CID 144737186
5-bromo-2-piperidin-3-yloxypyridine;hydrochloride
CID 71636384
(3,5-dimethoxyphenyl) piperidine-4-carboxylate
CID 94276991

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl) piperidine-4-carboxylate?
The IUPAC name of (5-bromo-2-pyridinyl) piperidine-4-carboxylate (CID 153380500) is (5-bromo-2-pyridinyl) piperidine-4-carboxylate.
What is the SMILES notation for (5-bromo-2-pyridinyl) piperidine-4-carboxylate?
The canonical SMILES for (5-bromo-2-pyridinyl) piperidine-4-carboxylate is O=C(Oc1ccc(Br)cn1)C1CCNCC1.
What is the InChIKey of (5-bromo-2-pyridinyl) piperidine-4-carboxylate?
The InChIKey is PBDYJPWRBOWIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-9-1-2-10(14-7-9)16-11(15)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2.
What are the key properties of (5-bromo-2-pyridinyl) piperidine-4-carboxylate?
(5-bromo-2-pyridinyl) piperidine-4-carboxylate has a molecular weight of 285.14 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl) piperidine-4-carboxylate is sourced from PubChem (CID 153380500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).