(2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one

C14H19FN2O2 — CID 10518507

IUPAC(2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESN[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1
InChIInChI=1S/C14H19FN2O2/c15-11-3-1-10(2-4-11)9-13(16)14(19)17-7-5-12(18)6-8-17/h1-4,12-13,18H,5-9,16H2/t13-/m0/s1
InChIKeyXBNPCJMXDNUUNN-ZDUSSCGKSA-N
MW266.32 g/mol
LogP0.68
Rot. Bonds3

About (2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one

(2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 10518507) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID10518507
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESN[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1
InChIInChI=1S/C14H19FN2O2/c15-11-3-1-10(2-4-11)9-13(16)14(19)17-7-5-12(18)6-8-17/h1-4,12-13,18H,5-9,16H2/t13-/m0/s1
InChIKeyXBNPCJMXDNUUNN-ZDUSSCGKSA-N
XLogP0.68
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 10518507) is (2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one is N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1.
What is the InChIKey of (2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is XBNPCJMXDNUUNN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-11-3-1-10(2-4-11)9-13(16)14(19)17-7-5-12(18)6-8-17/h1-4,12-13,18H,5-9,16H2/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
(2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 266.32 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 10518507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).