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

C21H25NO2 — CID 11899996

IUPAC[(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone
SMILESCN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-22-18(15-20(23)16-9-4-2-5-10-16)13-8-14-19(22)21(24)17-11-6-3-7-12-17/h2-7,9-12,18-20,23H,8,13-15H2,1H3/t18-,19-,20+/m1/s1
InChIKeyVTNNMVYLMVDTCG-AQNXPRMDSA-N
MW323.44 g/mol
LogP3.85
Rot. Bonds5

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

[(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone (PubChem CID 11899996) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is [(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone
PubChem CID11899996
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name[(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone
SMILESCN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-22-18(15-20(23)16-9-4-2-5-10-16)13-8-14-19(22)21(24)17-11-6-3-7-12-17/h2-7,9-12,18-20,23H,8,13-15H2,1H3/t18-,19-,20+/m1/s1
InChIKeyVTNNMVYLMVDTCG-AQNXPRMDSA-N
XLogP3.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone with MolForge

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Related Compounds

2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride
CID 71296873
2-(1-methyl-6-phenylpiperidin-2-yl)-1-phenylethanol
CID 70540871
2-[6-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
CID 162817774
(1S)-2-[(2S,6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanol
CID 10687251
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
3-[2-(2-hydroxy-2-phenylethyl)azepan-1-yl]propanoic acid;hydrochloride
CID 119934761
3-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]benzoic acid
CID 129415441
2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide
CID 71989179
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125118441
ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11087069
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 111490245
2-[6-[2-(2,3-dihydroxyphenyl)-2-hydroxyethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
CID 162817773

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone?
The IUPAC name of [(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone (CID 11899996) is [(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone.
What is the SMILES notation for [(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone?
The canonical SMILES for [(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone is CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@@H]1C(=O)c1ccccc1.
What is the InChIKey of [(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone?
The InChIKey is VTNNMVYLMVDTCG-AQNXPRMDSA-N. The full InChI is InChI=1S/C21H25NO2/c1-22-18(15-20(23)16-9-4-2-5-10-16)13-8-14-19(22)21(24)17-11-6-3-7-12-17/h2-7,9-12,18-20,23H,8,13-15H2,1H3/t18-,19-,20+/m1/s1.
What are the key properties of [(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone?
[(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone has a molecular weight of 323.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone is sourced from PubChem (CID 11899996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).