1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one

C17H25NO2 — CID 14825338

IUPAC1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one
SMILESCC(=O)C[C@H]1CCC[C@@H](C[C@H](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/h3-5,7-8,15-17,20H,6,9-12H2,1-2H3/t15-,16+,17+/m1/s1
InChIKeyUNEVXLRBMRPLDP-IKGGRYGDSA-N
MW275.39 g/mol
LogP2.94
Rot. Bonds5

About 1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one

1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one (PubChem CID 14825338) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one
PubChem CID14825338
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one
SMILESCC(=O)C[C@H]1CCC[C@@H](C[C@H](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/h3-5,7-8,15-17,20H,6,9-12H2,1-2H3/t15-,16+,17+/m1/s1
InChIKeyUNEVXLRBMRPLDP-IKGGRYGDSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Lobelanidine
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2-(6-(2-Hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethan-1-one
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10S-hydroxylobelane
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one?
The IUPAC name of 1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one (CID 14825338) is 1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one is CC(=O)C[C@H]1CCC[C@@H](C[C@H](O)c2ccccc2)N1C.
What is the InChIKey of 1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one?
The InChIKey is UNEVXLRBMRPLDP-IKGGRYGDSA-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/h3-5,7-8,15-17,20H,6,9-12H2,1-2H3/t15-,16+,17+/m1/s1.
What are the key properties of 1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one?
1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one has a molecular weight of 275.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one is sourced from PubChem (CID 14825338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).