(6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one

C16H23NO2 — CID 101074917

IUPAC(6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one
SMILESCC(C)(C)c1ccccc1N1C(=O)CCC[C@@H]1CO
InChIInChI=1S/C16H23NO2/c1-16(2,3)13-8-4-5-9-14(13)17-12(11-18)7-6-10-15(17)19/h4-5,8-9,12,18H,6-7,10-11H2,1-3H3/t12-/m1/s1
InChIKeyXLAWQMWFNRTQBQ-GFCCVEGCSA-N
MW261.37 g/mol
LogP2.86
Rot. Bonds2

About (6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one

(6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one (PubChem CID 101074917) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one.

Molecular Properties

Compound Name(6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one
PubChem CID101074917
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one
SMILESCC(C)(C)c1ccccc1N1C(=O)CCC[C@@H]1CO
InChIInChI=1S/C16H23NO2/c1-16(2,3)13-8-4-5-9-14(13)17-12(11-18)7-6-10-15(17)19/h4-5,8-9,12,18H,6-7,10-11H2,1-3H3/t12-/m1/s1
InChIKeyXLAWQMWFNRTQBQ-GFCCVEGCSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 90463062
1-(2-tert-butylphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
CID 117021896
1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one
CID 117013913
(5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one
CID 101025894
1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64972240
2-[1-(2-tert-butylphenyl)piperidin-2-yl]acetonitrile
CID 117028200
sodium;1-(2-tert-butylphenyl)azetidin-2-one;2-methylpropan-2-olate
CID 69044513
(3S)-1-(2-tert-butylphenyl)-3-methylpyrrolidine-2,5-dione
CID 134861752
[1-(2-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675118
(6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one
CID 101333052
1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517282
1-(2-tert-butylphenyl)-3,3-dimethylpiperidine-2,6-dione
CID 171976446

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one?
The IUPAC name of (6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one (CID 101074917) is (6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one.
What is the SMILES notation for (6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one?
The canonical SMILES for (6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one is CC(C)(C)c1ccccc1N1C(=O)CCC[C@@H]1CO.
What is the InChIKey of (6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one?
The InChIKey is XLAWQMWFNRTQBQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)13-8-4-5-9-14(13)17-12(11-18)7-6-10-15(17)19/h4-5,8-9,12,18H,6-7,10-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one?
(6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one is sourced from PubChem (CID 101074917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).