5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine

C15H25FN2 — CID 176690606

IUPAC5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine
SMILESCC1=CCN(C(C)C)C=C1CCN1CCC(F)C1
InChIInChI=1S/C15H25FN2/c1-12(2)18-9-4-13(3)14(10-18)5-7-17-8-6-15(16)11-17/h4,10,12,15H,5-9,11H2,1-3H3
InChIKeyKZHZOECKLSJKIO-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.97
Rot. Bonds4

About 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine

5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine (PubChem CID 176690606) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine.

Molecular Properties

Compound Name5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine
PubChem CID176690606
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine
SMILESCC1=CCN(C(C)C)C=C1CCN1CCC(F)C1
InChIInChI=1S/C15H25FN2/c1-12(2)18-9-4-13(3)14(10-18)5-7-17-8-6-15(16)11-17/h4,10,12,15H,5-9,11H2,1-3H3
InChIKeyKZHZOECKLSJKIO-UHFFFAOYSA-N
XLogP2.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine?
The IUPAC name of 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine (CID 176690606) is 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine.
What is the SMILES notation for 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine?
The canonical SMILES for 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine is CC1=CCN(C(C)C)C=C1CCN1CCC(F)C1.
What is the InChIKey of 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine?
The InChIKey is KZHZOECKLSJKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-12(2)18-9-4-13(3)14(10-18)5-7-17-8-6-15(16)11-17/h4,10,12,15H,5-9,11H2,1-3H3.
What are the key properties of 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine?
5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine has a molecular weight of 252.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methyl-1-propan-2-yl-2H-pyridine is sourced from PubChem (CID 176690606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).