1-[1-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]ethanol

C16H26FN3O — CID 105387215

IUPAC1-[1-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2nccc(CNC(C)(C)C)c2F)C1
InChIInChI=1S/C16H26FN3O/c1-11(21)13-6-8-20(10-13)15-14(17)12(5-7-18-15)9-19-16(2,3)4/h5,7,11,13,19,21H,6,8-10H2,1-4H3
InChIKeyWIFXWTFOJRECGF-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.32
Rot. Bonds4

About 1-[1-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]ethanol

1-[1-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]ethanol (PubChem CID 105387215) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[1-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]ethanol
PubChem CID105387215
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name1-[1-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2nccc(CNC(C)(C)C)c2F)C1
InChIInChI=1S/C16H26FN3O/c1-11(21)13-6-8-20(10-13)15-14(17)12(5-7-18-15)9-19-16(2,3)4/h5,7,11,13,19,21H,6,8-10H2,1-4H3
InChIKeyWIFXWTFOJRECGF-UHFFFAOYSA-N
XLogP2.32
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]ethanol (CID 105387215) is 1-[1-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2nccc(CNC(C)(C)C)c2F)C1.
What is the InChIKey of 1-[1-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The InChIKey is WIFXWTFOJRECGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-11(21)13-6-8-20(10-13)15-14(17)12(5-7-18-15)9-19-16(2,3)4/h5,7,11,13,19,21H,6,8-10H2,1-4H3.
What are the key properties of 1-[1-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]ethanol?
1-[1-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]ethanol has a molecular weight of 295.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 105387215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).