4-[(3-fluoroanilino)methyl]piperidin-4-ol

C12H17FN2O — CID 56773841

IUPAC4-[(3-fluoroanilino)methyl]piperidin-4-ol
SMILESOC1(CNc2cccc(F)c2)CCNCC1
InChIInChI=1S/C12H17FN2O/c13-10-2-1-3-11(8-10)15-9-12(16)4-6-14-7-5-12/h1-3,8,14-16H,4-7,9H2
InChIKeyJUKUNHBPRLZLIH-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.35
Rot. Bonds3

About 4-[(3-fluoroanilino)methyl]piperidin-4-ol

4-[(3-fluoroanilino)methyl]piperidin-4-ol (PubChem CID 56773841) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-[(3-fluoroanilino)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(3-fluoroanilino)methyl]piperidin-4-ol
PubChem CID56773841
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name4-[(3-fluoroanilino)methyl]piperidin-4-ol
SMILESOC1(CNc2cccc(F)c2)CCNCC1
InChIInChI=1S/C12H17FN2O/c13-10-2-1-3-11(8-10)15-9-12(16)4-6-14-7-5-12/h1-3,8,14-16H,4-7,9H2
InChIKeyJUKUNHBPRLZLIH-UHFFFAOYSA-N
XLogP1.35
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoroanilino)methyl]piperidin-4-ol?
The IUPAC name of 4-[(3-fluoroanilino)methyl]piperidin-4-ol (CID 56773841) is 4-[(3-fluoroanilino)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(3-fluoroanilino)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(3-fluoroanilino)methyl]piperidin-4-ol is OC1(CNc2cccc(F)c2)CCNCC1.
What is the InChIKey of 4-[(3-fluoroanilino)methyl]piperidin-4-ol?
The InChIKey is JUKUNHBPRLZLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-10-2-1-3-11(8-10)15-9-12(16)4-6-14-7-5-12/h1-3,8,14-16H,4-7,9H2.
What are the key properties of 4-[(3-fluoroanilino)methyl]piperidin-4-ol?
4-[(3-fluoroanilino)methyl]piperidin-4-ol has a molecular weight of 224.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoroanilino)methyl]piperidin-4-ol is sourced from PubChem (CID 56773841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).