3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine

C14H20BrFN2 — CID 113462354

IUPAC3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine
SMILESCC(F)(Cc1cncc(Br)c1)CC1CCCCN1
InChIInChI=1S/C14H20BrFN2/c1-14(16,8-13-4-2-3-5-18-13)7-11-6-12(15)10-17-9-11/h6,9-10,13,18H,2-5,7-8H2,1H3
InChIKeyZQULKFDPSLDJCO-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.65
Rot. Bonds4

About 3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine

3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine (PubChem CID 113462354) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine
PubChem CID113462354
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine
SMILESCC(F)(Cc1cncc(Br)c1)CC1CCCCN1
InChIInChI=1S/C14H20BrFN2/c1-14(16,8-13-4-2-3-5-18-13)7-11-6-12(15)10-17-9-11/h6,9-10,13,18H,2-5,7-8H2,1H3
InChIKeyZQULKFDPSLDJCO-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3,5-difluorophenyl)-2-fluoro-2-methylpropyl]piperidine
CID 105411766
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622205
2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine
CID 114350316
2-[(5-bromo-3-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606967
1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol
CID 104801568
2-(2-fluoro-2-methylbutyl)pyrrolidine
CID 105431305
5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796828
N-[2-[(5-bromo-3-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641151
3-bromo-5-piperidin-2-ylpyridine;dihydrochloride
CID 122198515
2-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840165
5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796659
4-tert-butyl-7-(piperidin-2-ylmethyl)isoquinoline
CID 117454055

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine?
The IUPAC name of 3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine (CID 113462354) is 3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine.
What is the SMILES notation for 3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine?
The canonical SMILES for 3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine is CC(F)(Cc1cncc(Br)c1)CC1CCCCN1.
What is the InChIKey of 3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine?
The InChIKey is ZQULKFDPSLDJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-14(16,8-13-4-2-3-5-18-13)7-11-6-12(15)10-17-9-11/h6,9-10,13,18H,2-5,7-8H2,1H3.
What are the key properties of 3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine?
3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine has a molecular weight of 315.23 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine is sourced from PubChem (CID 113462354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).