5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine

C12H17FN2 — CID 163385935

IUPAC5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine
SMILESCc1ccc(CC2(F)CCNCC2)cn1
InChIInChI=1S/C12H17FN2/c1-10-2-3-11(9-15-10)8-12(13)4-6-14-7-5-12/h2-3,9,14H,4-8H2,1H3
InChIKeyZCPFPQOHHHYPQE-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.02
Rot. Bonds2

About 5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine

5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine (PubChem CID 163385935) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine
PubChem CID163385935
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine
SMILESCc1ccc(CC2(F)CCNCC2)cn1
InChIInChI=1S/C12H17FN2/c1-10-2-3-11(9-15-10)8-12(13)4-6-14-7-5-12/h2-3,9,14H,4-8H2,1H3
InChIKeyZCPFPQOHHHYPQE-UHFFFAOYSA-N
XLogP2.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine?
The IUPAC name of 5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine (CID 163385935) is 5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine.
What is the SMILES notation for 5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine?
The canonical SMILES for 5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine is Cc1ccc(CC2(F)CCNCC2)cn1.
What is the InChIKey of 5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine?
The InChIKey is ZCPFPQOHHHYPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-10-2-3-11(9-15-10)8-12(13)4-6-14-7-5-12/h2-3,9,14H,4-8H2,1H3.
What are the key properties of 5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine?
5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine has a molecular weight of 208.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine is sourced from PubChem (CID 163385935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).