[4-(3-fluoroanilino)piperidin-4-yl]methanol

C12H17FN2O — CID 61243193

IUPAC[4-(3-fluoroanilino)piperidin-4-yl]methanol
SMILESOCC1(Nc2cccc(F)c2)CCNCC1
InChIInChI=1S/C12H17FN2O/c13-10-2-1-3-11(8-10)15-12(9-16)4-6-14-7-5-12/h1-3,8,14-16H,4-7,9H2
InChIKeyWLDDIVBWBCISNO-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.35
Rot. Bonds3

About [4-(3-fluoroanilino)piperidin-4-yl]methanol

[4-(3-fluoroanilino)piperidin-4-yl]methanol (PubChem CID 61243193) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [4-(3-fluoroanilino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(3-fluoroanilino)piperidin-4-yl]methanol
PubChem CID61243193
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[4-(3-fluoroanilino)piperidin-4-yl]methanol
SMILESOCC1(Nc2cccc(F)c2)CCNCC1
InChIInChI=1S/C12H17FN2O/c13-10-2-1-3-11(8-10)15-12(9-16)4-6-14-7-5-12/h1-3,8,14-16H,4-7,9H2
InChIKeyWLDDIVBWBCISNO-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)piperidin-4-yl]methanol?
The IUPAC name of [4-(3-fluoroanilino)piperidin-4-yl]methanol (CID 61243193) is [4-(3-fluoroanilino)piperidin-4-yl]methanol.
What is the SMILES notation for [4-(3-fluoroanilino)piperidin-4-yl]methanol?
The canonical SMILES for [4-(3-fluoroanilino)piperidin-4-yl]methanol is OCC1(Nc2cccc(F)c2)CCNCC1.
What is the InChIKey of [4-(3-fluoroanilino)piperidin-4-yl]methanol?
The InChIKey is WLDDIVBWBCISNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-10-2-1-3-11(8-10)15-12(9-16)4-6-14-7-5-12/h1-3,8,14-16H,4-7,9H2.
What are the key properties of [4-(3-fluoroanilino)piperidin-4-yl]methanol?
[4-(3-fluoroanilino)piperidin-4-yl]methanol 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)piperidin-4-yl]methanol is sourced from PubChem (CID 61243193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).