3-[(3-fluoroazetidin-1-yl)methyl]-1-(6-methyl-3-pyridinyl)piperidin-3-ol

C15H22FN3O — CID 167458832

IUPAC3-[(3-fluoroazetidin-1-yl)methyl]-1-(6-methyl-3-pyridinyl)piperidin-3-ol
SMILESCc1ccc(N2CCCC(O)(CN3CC(F)C3)C2)cn1
InChIInChI=1S/C15H22FN3O/c1-12-3-4-14(7-17-12)19-6-2-5-15(20,11-19)10-18-8-13(16)9-18/h3-4,7,13,20H,2,5-6,8-11H2,1H3
InChIKeyQDJSVHSEHOKSQB-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.38
Rot. Bonds3

About 3-[(3-fluoroazetidin-1-yl)methyl]-1-(6-methyl-3-pyridinyl)piperidin-3-ol

3-[(3-fluoroazetidin-1-yl)methyl]-1-(6-methyl-3-pyridinyl)piperidin-3-ol (PubChem CID 167458832) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[(3-fluoroazetidin-1-yl)methyl]-1-(6-methyl-3-pyridinyl)piperidin-3-ol.

Molecular Properties

Compound Name3-[(3-fluoroazetidin-1-yl)methyl]-1-(6-methyl-3-pyridinyl)piperidin-3-ol
PubChem CID167458832
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-[(3-fluoroazetidin-1-yl)methyl]-1-(6-methyl-3-pyridinyl)piperidin-3-ol
SMILESCc1ccc(N2CCCC(O)(CN3CC(F)C3)C2)cn1
InChIInChI=1S/C15H22FN3O/c1-12-3-4-14(7-17-12)19-6-2-5-15(20,11-19)10-18-8-13(16)9-18/h3-4,7,13,20H,2,5-6,8-11H2,1H3
InChIKeyQDJSVHSEHOKSQB-UHFFFAOYSA-N
XLogP1.38
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoroazetidin-1-yl)methyl]-1-(6-methyl-3-pyridinyl)piperidin-3-ol?
The IUPAC name of 3-[(3-fluoroazetidin-1-yl)methyl]-1-(6-methyl-3-pyridinyl)piperidin-3-ol (CID 167458832) is 3-[(3-fluoroazetidin-1-yl)methyl]-1-(6-methyl-3-pyridinyl)piperidin-3-ol.
What is the SMILES notation for 3-[(3-fluoroazetidin-1-yl)methyl]-1-(6-methyl-3-pyridinyl)piperidin-3-ol?
The canonical SMILES for 3-[(3-fluoroazetidin-1-yl)methyl]-1-(6-methyl-3-pyridinyl)piperidin-3-ol is Cc1ccc(N2CCCC(O)(CN3CC(F)C3)C2)cn1.
What is the InChIKey of 3-[(3-fluoroazetidin-1-yl)methyl]-1-(6-methyl-3-pyridinyl)piperidin-3-ol?
The InChIKey is QDJSVHSEHOKSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-12-3-4-14(7-17-12)19-6-2-5-15(20,11-19)10-18-8-13(16)9-18/h3-4,7,13,20H,2,5-6,8-11H2,1H3.
What are the key properties of 3-[(3-fluoroazetidin-1-yl)methyl]-1-(6-methyl-3-pyridinyl)piperidin-3-ol?
3-[(3-fluoroazetidin-1-yl)methyl]-1-(6-methyl-3-pyridinyl)piperidin-3-ol has a molecular weight of 279.36 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoroazetidin-1-yl)methyl]-1-(6-methyl-3-pyridinyl)piperidin-3-ol is sourced from PubChem (CID 167458832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).