3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine

C15H23FN2 — CID 172524037

IUPAC3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine
SMILESCC(C)(C)C1(Cc2cncc(F)c2)CCNCC1
InChIInChI=1S/C15H23FN2/c1-14(2,3)15(4-6-17-7-5-15)9-12-8-13(16)11-18-10-12/h8,10-11,17H,4-7,9H2,1-3H3
InChIKeyBJEUOKBJJLNPOV-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.18
Rot. Bonds2

About 3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine

3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine (PubChem CID 172524037) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine.

Molecular Properties

Compound Name3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine
PubChem CID172524037
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine
SMILESCC(C)(C)C1(Cc2cncc(F)c2)CCNCC1
InChIInChI=1S/C15H23FN2/c1-14(2,3)15(4-6-17-7-5-15)9-12-8-13(16)11-18-10-12/h8,10-11,17H,4-7,9H2,1-3H3
InChIKeyBJEUOKBJJLNPOV-UHFFFAOYSA-N
XLogP3.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine?
The IUPAC name of 3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine (CID 172524037) is 3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine.
What is the SMILES notation for 3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine?
The canonical SMILES for 3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine is CC(C)(C)C1(Cc2cncc(F)c2)CCNCC1.
What is the InChIKey of 3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine?
The InChIKey is BJEUOKBJJLNPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-14(2,3)15(4-6-17-7-5-15)9-12-8-13(16)11-18-10-12/h8,10-11,17H,4-7,9H2,1-3H3.
What are the key properties of 3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine?
3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine has a molecular weight of 250.36 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylpiperidin-4-yl)methyl]-5-fluoropyridine is sourced from PubChem (CID 172524037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).