(1-benzyl-4-fluoropiperidin-1-ium-3-yl)methanol

C13H19FNO+ — CID 135065037

IUPAC(1-benzyl-4-fluoropiperidin-1-ium-3-yl)methanol
SMILESOCC1C[NH+](Cc2ccccc2)CCC1F
InChIInChI=1S/C13H18FNO/c14-13-6-7-15(9-12(13)10-16)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2/p+1
InChIKeyVUSIMSUGLBODCD-UHFFFAOYSA-O
MW224.30 g/mol
LogP0.42
Rot. Bonds3

About (1-benzyl-4-fluoropiperidin-1-ium-3-yl)methanol

(1-benzyl-4-fluoropiperidin-1-ium-3-yl)methanol (PubChem CID 135065037) has the molecular formula C13H19FNO+ and a molecular weight of 224.30 g/mol. Its IUPAC name is (1-benzyl-4-fluoropiperidin-1-ium-3-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-4-fluoropiperidin-1-ium-3-yl)methanol
PubChem CID135065037
Molecular FormulaC13H19FNO+
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(1-benzyl-4-fluoropiperidin-1-ium-3-yl)methanol
SMILESOCC1C[NH+](Cc2ccccc2)CCC1F
InChIInChI=1S/C13H18FNO/c14-13-6-7-15(9-12(13)10-16)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2/p+1
InChIKeyVUSIMSUGLBODCD-UHFFFAOYSA-O
XLogP0.42
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-fluoropiperidin-1-ium-3-yl)methanol?
The IUPAC name of (1-benzyl-4-fluoropiperidin-1-ium-3-yl)methanol (CID 135065037) is (1-benzyl-4-fluoropiperidin-1-ium-3-yl)methanol.
What is the SMILES notation for (1-benzyl-4-fluoropiperidin-1-ium-3-yl)methanol?
The canonical SMILES for (1-benzyl-4-fluoropiperidin-1-ium-3-yl)methanol is OCC1C[NH+](Cc2ccccc2)CCC1F.
What is the InChIKey of (1-benzyl-4-fluoropiperidin-1-ium-3-yl)methanol?
The InChIKey is VUSIMSUGLBODCD-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18FNO/c14-13-6-7-15(9-12(13)10-16)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2/p+1.
What are the key properties of (1-benzyl-4-fluoropiperidin-1-ium-3-yl)methanol?
(1-benzyl-4-fluoropiperidin-1-ium-3-yl)methanol has a molecular weight of 224.30 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-fluoropiperidin-1-ium-3-yl)methanol is sourced from PubChem (CID 135065037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).