1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one

C23H29NO3 — CID 2856734

IUPAC1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccccc1OCC(O)CN1CCCCC1
InChIInChI=1S/C23H29NO3/c25-20(17-24-15-7-2-8-16-24)18-27-23-12-6-5-11-21(23)22(26)14-13-19-9-3-1-4-10-19/h1,3-6,9-12,20,25H,2,7-8,13-18H2
InChIKeyDMYOHQBLOZMDLP-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.73
Rot. Bonds9

About 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one

1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one (PubChem CID 2856734) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one
PubChem CID2856734
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccccc1OCC(O)CN1CCCCC1
InChIInChI=1S/C23H29NO3/c25-20(17-24-15-7-2-8-16-24)18-27-23-12-6-5-11-21(23)22(26)14-13-19-9-3-1-4-10-19/h1,3-6,9-12,20,25H,2,7-8,13-18H2
InChIKeyDMYOHQBLOZMDLP-UHFFFAOYSA-N
XLogP3.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one (CID 2856734) is 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1ccccc1OCC(O)CN1CCCCC1.
What is the InChIKey of 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one?
The InChIKey is DMYOHQBLOZMDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c25-20(17-24-15-7-2-8-16-24)18-27-23-12-6-5-11-21(23)22(26)14-13-19-9-3-1-4-10-19/h1,3-6,9-12,20,25H,2,7-8,13-18H2.
What are the key properties of 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one?
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one has a molecular weight of 367.49 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one is sourced from PubChem (CID 2856734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).