1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol

C15H23FN2O — CID 79065583

IUPAC1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1cncc(F)c1)N1CCCCC1
InChIInChI=1S/C15H23FN2O/c1-3-15(2,18-7-5-4-6-8-18)14(19)12-9-13(16)11-17-10-12/h9-11,14,19H,3-8H2,1-2H3
InChIKeyAVWQYRCLTUTUQJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.91
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol

1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol (PubChem CID 79065583) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
PubChem CID79065583
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1cncc(F)c1)N1CCCCC1
InChIInChI=1S/C15H23FN2O/c1-3-15(2,18-7-5-4-6-8-18)14(19)12-9-13(16)11-17-10-12/h9-11,14,19H,3-8H2,1-2H3
InChIKeyAVWQYRCLTUTUQJ-UHFFFAOYSA-N
XLogP2.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol (CID 79065583) is 1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol is CCC(C)(C(O)c1cncc(F)c1)N1CCCCC1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
The InChIKey is AVWQYRCLTUTUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-15(2,18-7-5-4-6-8-18)14(19)12-9-13(16)11-17-10-12/h9-11,14,19H,3-8H2,1-2H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol?
1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol is sourced from PubChem (CID 79065583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).