2-[(2R,6S)-6-[(2S)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone

C17H25NO2 — CID 163029511

IUPAC2-[(2R,6S)-6-[(2S)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone
SMILESC[C@H](O)C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C
InChIInChI=1S/C17H25NO2/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14/h3-5,7-8,13,15-16,19H,6,9-12H2,1-2H3/t13-,15-,16+/m0/s1
InChIKeyMMIDMSZRVRHQIJ-CWRNSKLLSA-N
MW275.39 g/mol
LogP2.88
Rot. Bonds5

About 2-[(2R,6S)-6-[(2S)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone

2-[(2R,6S)-6-[(2S)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone (PubChem CID 163029511) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[(2R,6S)-6-[(2S)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(2R,6S)-6-[(2S)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone
PubChem CID163029511
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[(2R,6S)-6-[(2S)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone
SMILESC[C@H](O)C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C
InChIInChI=1S/C17H25NO2/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14/h3-5,7-8,13,15-16,19H,6,9-12H2,1-2H3/t13-,15-,16+/m0/s1
InChIKeyMMIDMSZRVRHQIJ-CWRNSKLLSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-6-[(2S)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone?
The IUPAC name of 2-[(2R,6S)-6-[(2S)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone (CID 163029511) is 2-[(2R,6S)-6-[(2S)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[(2R,6S)-6-[(2S)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[(2R,6S)-6-[(2S)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone is C[C@H](O)C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C.
What is the InChIKey of 2-[(2R,6S)-6-[(2S)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone?
The InChIKey is MMIDMSZRVRHQIJ-CWRNSKLLSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14/h3-5,7-8,13,15-16,19H,6,9-12H2,1-2H3/t13-,15-,16+/m0/s1.
What are the key properties of 2-[(2R,6S)-6-[(2S)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone?
2-[(2R,6S)-6-[(2S)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone has a molecular weight of 275.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-6-[(2S)-2-hydroxypropyl]-1-methylpiperidin-2-yl]-1-phenylethanone is sourced from PubChem (CID 163029511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).