(5R,6S)-6-[(Z)-3-hydroxyprop-1-enyl]-5-phenylmethoxypiperidin-2-one

C15H19NO3 — CID 10015518

IUPAC(5R,6S)-6-[(Z)-3-hydroxyprop-1-enyl]-5-phenylmethoxypiperidin-2-one
SMILESO=C1CC[C@@H](OCc2ccccc2)[C@H](/C=C\CO)N1
InChIInChI=1S/C15H19NO3/c17-10-4-7-13-14(8-9-15(18)16-13)19-11-12-5-2-1-3-6-12/h1-7,13-14,17H,8-11H2,(H,16,18)/b7-4-/t13-,14+/m0/s1
InChIKeyNACHHHPBVAMBOB-WREBYIDWSA-N
MW261.32 g/mol
LogP1.40
Rot. Bonds5

About (5R,6S)-6-[(Z)-3-hydroxyprop-1-enyl]-5-phenylmethoxypiperidin-2-one

(5R,6S)-6-[(Z)-3-hydroxyprop-1-enyl]-5-phenylmethoxypiperidin-2-one (PubChem CID 10015518) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (5R,6S)-6-[(Z)-3-hydroxyprop-1-enyl]-5-phenylmethoxypiperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-[(Z)-3-hydroxyprop-1-enyl]-5-phenylmethoxypiperidin-2-one
PubChem CID10015518
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(5R,6S)-6-[(Z)-3-hydroxyprop-1-enyl]-5-phenylmethoxypiperidin-2-one
SMILESO=C1CC[C@@H](OCc2ccccc2)[C@H](/C=C\CO)N1
InChIInChI=1S/C15H19NO3/c17-10-4-7-13-14(8-9-15(18)16-13)19-11-12-5-2-1-3-6-12/h1-7,13-14,17H,8-11H2,(H,16,18)/b7-4-/t13-,14+/m0/s1
InChIKeyNACHHHPBVAMBOB-WREBYIDWSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-[(Z)-3-hydroxyprop-1-enyl]-5-phenylmethoxypiperidin-2-one?
The IUPAC name of (5R,6S)-6-[(Z)-3-hydroxyprop-1-enyl]-5-phenylmethoxypiperidin-2-one (CID 10015518) is (5R,6S)-6-[(Z)-3-hydroxyprop-1-enyl]-5-phenylmethoxypiperidin-2-one.
What is the SMILES notation for (5R,6S)-6-[(Z)-3-hydroxyprop-1-enyl]-5-phenylmethoxypiperidin-2-one?
The canonical SMILES for (5R,6S)-6-[(Z)-3-hydroxyprop-1-enyl]-5-phenylmethoxypiperidin-2-one is O=C1CC[C@@H](OCc2ccccc2)[C@H](/C=C\CO)N1.
What is the InChIKey of (5R,6S)-6-[(Z)-3-hydroxyprop-1-enyl]-5-phenylmethoxypiperidin-2-one?
The InChIKey is NACHHHPBVAMBOB-WREBYIDWSA-N. The full InChI is InChI=1S/C15H19NO3/c17-10-4-7-13-14(8-9-15(18)16-13)19-11-12-5-2-1-3-6-12/h1-7,13-14,17H,8-11H2,(H,16,18)/b7-4-/t13-,14+/m0/s1.
What are the key properties of (5R,6S)-6-[(Z)-3-hydroxyprop-1-enyl]-5-phenylmethoxypiperidin-2-one?
(5R,6S)-6-[(Z)-3-hydroxyprop-1-enyl]-5-phenylmethoxypiperidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-[(Z)-3-hydroxyprop-1-enyl]-5-phenylmethoxypiperidin-2-one is sourced from PubChem (CID 10015518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).