(5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one

C16H23NO2 — CID 10923310

IUPAC(5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one
SMILESC[C@@H]1CCC(=O)N[C@H]1CCCOCc1ccccc1
InChIInChI=1S/C16H23NO2/c1-13-9-10-16(18)17-15(13)8-5-11-19-12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,17,18)/t13-,15+/m1/s1
InChIKeyBQOBCLMKSXOORV-HIFRSBDPSA-N
MW261.36 g/mol
LogP2.90
Rot. Bonds6

About (5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one

(5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one (PubChem CID 10923310) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one
PubChem CID10923310
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one
SMILESC[C@@H]1CCC(=O)N[C@H]1CCCOCc1ccccc1
InChIInChI=1S/C16H23NO2/c1-13-9-10-16(18)17-15(13)8-5-11-19-12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,17,18)/t13-,15+/m1/s1
InChIKeyBQOBCLMKSXOORV-HIFRSBDPSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-(4-phenylmethoxybutyl)cyclohexan-1-one
CID 123315734
(5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one
CID 44550895
5-(3-phenylmethoxypropyl)piperidine-2,4-dione
CID 69075313
2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
CID 158778090
3-(3-phenylmethoxypropyl)oxolan-2-one
CID 177135266
trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde
CID 135039485
3-[1-(chloromethyl)-2-methylcyclopropyl]propoxymethylbenzene
CID 165445447
2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one
CID 11075746
(3R)-3-(3-phenylmethoxypropyl)piperidin-2-one
CID 118421052
(4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one
CID 53253787
(4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one
CID 132584785
methyl (2R,3S)-3-methyl-2-(3-phenylmethoxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate
CID 15984755

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one?
The IUPAC name of (5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one (CID 10923310) is (5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one.
What is the SMILES notation for (5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one?
The canonical SMILES for (5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one is C[C@@H]1CCC(=O)N[C@H]1CCCOCc1ccccc1.
What is the InChIKey of (5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one?
The InChIKey is BQOBCLMKSXOORV-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-9-10-16(18)17-15(13)8-5-11-19-12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,17,18)/t13-,15+/m1/s1.
What are the key properties of (5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one?
(5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one has a molecular weight of 261.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one is sourced from PubChem (CID 10923310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).