(6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one

C15H21NO2 — CID 14609818

IUPAC(6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one
SMILESCC[C@@H](OCc1ccccc1)[C@@H]1CCCC(=O)N1
InChIInChI=1S/C15H21NO2/c1-2-14(13-9-6-10-15(17)16-13)18-11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,16,17)/t13-,14+/m0/s1
InChIKeyZBVWAIQJSZAWRP-UONOGXRCSA-N
MW247.34 g/mol
LogP2.65
Rot. Bonds5

About (6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one

(6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one (PubChem CID 14609818) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one.

Molecular Properties

Compound Name(6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one
PubChem CID14609818
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one
SMILESCC[C@@H](OCc1ccccc1)[C@@H]1CCCC(=O)N1
InChIInChI=1S/C15H21NO2/c1-2-14(13-9-6-10-15(17)16-13)18-11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,16,17)/t13-,14+/m0/s1
InChIKeyZBVWAIQJSZAWRP-UONOGXRCSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one?
The IUPAC name of (6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one (CID 14609818) is (6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one.
What is the SMILES notation for (6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one?
The canonical SMILES for (6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one is CC[C@@H](OCc1ccccc1)[C@@H]1CCCC(=O)N1.
What is the InChIKey of (6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one?
The InChIKey is ZBVWAIQJSZAWRP-UONOGXRCSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-14(13-9-6-10-15(17)16-13)18-11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,16,17)/t13-,14+/m0/s1.
What are the key properties of (6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one?
(6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(1R)-1-phenylmethoxypropyl]piperidin-2-one is sourced from PubChem (CID 14609818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).