1-[4-fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol

C13H19FN2O — CID 43313821

IUPAC1-[4-fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol
SMILESCNCc1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C13H19FN2O/c1-15-9-10-8-11(14)2-3-13(10)16-6-4-12(17)5-7-16/h2-3,8,12,15,17H,4-7,9H2,1H3
InChIKeyMKWUSNKLBSAQMZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.51
Rot. Bonds3

About 1-[4-fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol

1-[4-fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol (PubChem CID 43313821) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[4-fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol
PubChem CID43313821
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[4-fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol
SMILESCNCc1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C13H19FN2O/c1-15-9-10-8-11(14)2-3-13(10)16-6-4-12(17)5-7-16/h2-3,8,12,15,17H,4-7,9H2,1H3
InChIKeyMKWUSNKLBSAQMZ-UHFFFAOYSA-N
XLogP1.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol (CID 43313821) is 1-[4-fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol is CNCc1cc(F)ccc1N1CCC(O)CC1.
What is the InChIKey of 1-[4-fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol?
The InChIKey is MKWUSNKLBSAQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-15-9-10-8-11(14)2-3-13(10)16-6-4-12(17)5-7-16/h2-3,8,12,15,17H,4-7,9H2,1H3.
What are the key properties of 1-[4-fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol?
1-[4-fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol has a molecular weight of 238.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(methylaminomethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 43313821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).