[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol

C14H21NO2 — CID 59404485

IUPAC[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
SMILESOC[C@@H]1CCC[C@H]([13CH2]O)N1Cc1ccccc1
InChIInChI=1S/C14H21NO2/c16-10-13-7-4-8-14(11-17)15(13)9-12-5-2-1-3-6-12/h1-3,5-6,13-14,16-17H,4,7-11H2/t13-,14+/i10+1/m1/s1
InChIKeyZYCSKJLOQJGMCL-TUOPLANQSA-N
MW236.32 g/mol
LogP1.39
Rot. Bonds4

About [(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol

[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol (PubChem CID 59404485) has the molecular formula C14H21NO2 and a molecular weight of 236.32 g/mol. Its IUPAC name is [(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol.

Molecular Properties

Compound Name[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
PubChem CID59404485
Molecular FormulaC14H21NO2
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
SMILESOC[C@@H]1CCC[C@H]([13CH2]O)N1Cc1ccccc1
InChIInChI=1S/C14H21NO2/c16-10-13-7-4-8-14(11-17)15(13)9-12-5-2-1-3-6-12/h1-3,5-6,13-14,16-17H,4,7-11H2/t13-,14+/i10+1/m1/s1
InChIKeyZYCSKJLOQJGMCL-TUOPLANQSA-N
XLogP1.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol
CID 163511125
1-benzyl-2,7-bis(chloromethyl)azepane;hydrochloride
CID 11971663
2-[1-benzyl-6-(cyanomethyl)piperidin-2-yl]acetonitrile
CID 11118591
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
[(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol
CID 10733394
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
[(2S,5S)-5-(hydroxymethyl)-1-(naphthalen-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 154844051
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964952
1-benzylpiperidine-2,6-dicarboxylic acid;hydrochloride
CID 67045968
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol?
The IUPAC name of [(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol (CID 59404485) is [(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol.
What is the SMILES notation for [(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol?
The canonical SMILES for [(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol is OC[C@@H]1CCC[C@H]([13CH2]O)N1Cc1ccccc1.
What is the InChIKey of [(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol?
The InChIKey is ZYCSKJLOQJGMCL-TUOPLANQSA-N. The full InChI is InChI=1S/C14H21NO2/c16-10-13-7-4-8-14(11-17)15(13)9-12-5-2-1-3-6-12/h1-3,5-6,13-14,16-17H,4,7-11H2/t13-,14+/i10+1/m1/s1.
What are the key properties of [(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol?
[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol has a molecular weight of 236.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol is sourced from PubChem (CID 59404485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).