(3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol

C14H21NO2 — CID 100975569

IUPAC(3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol
SMILESCC[C@@]1(O)C[C@@H](O)CN(Cc2ccccc2)C1
InChIInChI=1S/C14H21NO2/c1-2-14(17)8-13(16)10-15(11-14)9-12-6-4-3-5-7-12/h3-7,13,16-17H,2,8-11H2,1H3/t13-,14-/m1/s1
InChIKeyIXCVXJDATWAGDM-ZIAGYGMSSA-N
MW235.33 g/mol
LogP1.39
Rot. Bonds3

About (3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol

(3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol (PubChem CID 100975569) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol.

Molecular Properties

Compound Name(3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol
PubChem CID100975569
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol
SMILESCC[C@@]1(O)C[C@@H](O)CN(Cc2ccccc2)C1
InChIInChI=1S/C14H21NO2/c1-2-14(17)8-13(16)10-15(11-14)9-12-6-4-3-5-7-12/h3-7,13,16-17H,2,8-11H2,1H3/t13-,14-/m1/s1
InChIKeyIXCVXJDATWAGDM-ZIAGYGMSSA-N
XLogP1.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
(3S,4R)-1-benzyl-3-tert-butyl-4-methylpyrrolidin-3-ol
CID 101210615
1-benzyl-5-fluoropiperidin-3-ol;ethane
CID 156839971
[(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid
CID 129241403
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
[(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 124678781

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol?
The IUPAC name of (3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol (CID 100975569) is (3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol.
What is the SMILES notation for (3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol?
The canonical SMILES for (3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol is CC[C@@]1(O)C[C@@H](O)CN(Cc2ccccc2)C1.
What is the InChIKey of (3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol?
The InChIKey is IXCVXJDATWAGDM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-14(17)8-13(16)10-15(11-14)9-12-6-4-3-5-7-12/h3-7,13,16-17H,2,8-11H2,1H3/t13-,14-/m1/s1.
What are the key properties of (3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol?
(3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol has a molecular weight of 235.33 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-benzyl-3-ethylpiperidine-3,5-diol is sourced from PubChem (CID 100975569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).