[6-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol

C16H25FN4O — CID 118162454

IUPAC[6-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol
SMILESCN(C)C1CCN(C2CN(c3nc(CO)ccc3F)C2)CC1
InChIInChI=1S/C16H25FN4O/c1-19(2)13-5-7-20(8-6-13)14-9-21(10-14)16-15(17)4-3-12(11-22)18-16/h3-4,13-14,22H,5-11H2,1-2H3
InChIKeyBSYPTKWGOPDFTJ-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.93
Rot. Bonds4

About [6-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol

[6-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol (PubChem CID 118162454) has the molecular formula C16H25FN4O and a molecular weight of 308.40 g/mol. Its IUPAC name is [6-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol
PubChem CID118162454
Molecular FormulaC16H25FN4O
Molecular Weight308.40 g/mol
Exact Mass308.20
IUPAC Name[6-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol
SMILESCN(C)C1CCN(C2CN(c3nc(CO)ccc3F)C2)CC1
InChIInChI=1S/C16H25FN4O/c1-19(2)13-5-7-20(8-6-13)14-9-21(10-14)16-15(17)4-3-12(11-22)18-16/h3-4,13-14,22H,5-11H2,1-2H3
InChIKeyBSYPTKWGOPDFTJ-UHFFFAOYSA-N
XLogP0.93
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol?
The IUPAC name of [6-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol (CID 118162454) is [6-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol.
What is the SMILES notation for [6-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol?
The canonical SMILES for [6-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol is CN(C)C1CCN(C2CN(c3nc(CO)ccc3F)C2)CC1.
What is the InChIKey of [6-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol?
The InChIKey is BSYPTKWGOPDFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O/c1-19(2)13-5-7-20(8-6-13)14-9-21(10-14)16-15(17)4-3-12(11-22)18-16/h3-4,13-14,22H,5-11H2,1-2H3.
What are the key properties of [6-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol?
[6-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol has a molecular weight of 308.40 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol is sourced from PubChem (CID 118162454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).