1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol

C12H17FN2O — CID 28965230

IUPAC1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol
SMILESNCc1ccc(N2CCC(O)CC2)c(F)c1
InChIInChI=1S/C12H17FN2O/c13-11-7-9(8-14)1-2-12(11)15-5-3-10(16)4-6-15/h1-2,7,10,16H,3-6,8,14H2
InChIKeyPJBQAMWFYBKREY-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.25
Rot. Bonds2

About 1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol

1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol (PubChem CID 28965230) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol
PubChem CID28965230
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol
SMILESNCc1ccc(N2CCC(O)CC2)c(F)c1
InChIInChI=1S/C12H17FN2O/c13-11-7-9(8-14)1-2-12(11)15-5-3-10(16)4-6-15/h1-2,7,10,16H,3-6,8,14H2
InChIKeyPJBQAMWFYBKREY-UHFFFAOYSA-N
XLogP1.25
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol?
The IUPAC name of 1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol (CID 28965230) is 1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol is NCc1ccc(N2CCC(O)CC2)c(F)c1.
What is the InChIKey of 1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol?
The InChIKey is PJBQAMWFYBKREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-11-7-9(8-14)1-2-12(11)15-5-3-10(16)4-6-15/h1-2,7,10,16H,3-6,8,14H2.
What are the key properties of 1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol?
1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol has a molecular weight of 224.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-fluorophenyl]piperidin-4-ol is sourced from PubChem (CID 28965230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).