3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one

C20H23FN2O2 — CID 119950821

IUPAC3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one
SMILESNC(CC(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H23FN2O2/c21-16-6-8-17(9-7-16)25-18-10-12-23(13-11-18)20(24)14-19(22)15-4-2-1-3-5-15/h1-9,18-19H,10-14,22H2
InChIKeyXKVZOTMLKOPCKQ-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.29
Rot. Bonds5

About 3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one

3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 119950821) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID119950821
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one
SMILESNC(CC(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H23FN2O2/c21-16-6-8-17(9-7-16)25-18-10-12-23(13-11-18)20(24)14-19(22)15-4-2-1-3-5-15/h1-9,18-19H,10-14,22H2
InChIKeyXKVZOTMLKOPCKQ-UHFFFAOYSA-N
XLogP3.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one (CID 119950821) is 3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one is NC(CC(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of 3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is XKVZOTMLKOPCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-16-6-8-17(9-7-16)25-18-10-12-23(13-11-18)20(24)14-19(22)15-4-2-1-3-5-15/h1-9,18-19H,10-14,22H2.
What are the key properties of 3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one?
3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 342.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119950821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).