3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine

C16H25FN2 — CID 176932011

IUPAC3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine
SMILESCC(C)c1ncc(C2CCN(C(C)C)CC2)cc1F
InChIInChI=1S/C16H25FN2/c1-11(2)16-15(17)9-14(10-18-16)13-5-7-19(8-6-13)12(3)4/h9-13H,5-8H2,1-4H3
InChIKeyCNMBSYKOAVZIQJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.93
Rot. Bonds3

About 3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine

3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine (PubChem CID 176932011) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine.

Molecular Properties

Compound Name3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine
PubChem CID176932011
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine
SMILESCC(C)c1ncc(C2CCN(C(C)C)CC2)cc1F
InChIInChI=1S/C16H25FN2/c1-11(2)16-15(17)9-14(10-18-16)13-5-7-19(8-6-13)12(3)4/h9-13H,5-8H2,1-4H3
InChIKeyCNMBSYKOAVZIQJ-UHFFFAOYSA-N
XLogP3.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine?
The IUPAC name of 3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine (CID 176932011) is 3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine.
What is the SMILES notation for 3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine?
The canonical SMILES for 3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine is CC(C)c1ncc(C2CCN(C(C)C)CC2)cc1F.
What is the InChIKey of 3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine?
The InChIKey is CNMBSYKOAVZIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-11(2)16-15(17)9-14(10-18-16)13-5-7-19(8-6-13)12(3)4/h9-13H,5-8H2,1-4H3.
What are the key properties of 3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine?
3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine has a molecular weight of 264.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine is sourced from PubChem (CID 176932011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).