(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol

C13H19NO2 — CID 69059860

IUPAC(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
SMILESC[C@]1(O)CCN(Cc2ccccc2)C[C@H]1O
InChIInChI=1S/C13H19NO2/c1-13(16)7-8-14(10-12(13)15)9-11-5-3-2-4-6-11/h2-6,12,15-16H,7-10H2,1H3/t12-,13+/m1/s1
InChIKeyCUSSPDRDTHKEME-OLZOCXBDSA-N
MW221.30 g/mol
LogP1.00
Rot. Bonds2

About (3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol

(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol (PubChem CID 69059860) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
PubChem CID69059860
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
SMILESC[C@]1(O)CCN(Cc2ccccc2)C[C@H]1O
InChIInChI=1S/C13H19NO2/c1-13(16)7-8-14(10-12(13)15)9-11-5-3-2-4-6-11/h2-6,12,15-16H,7-10H2,1H3/t12-,13+/m1/s1
InChIKeyCUSSPDRDTHKEME-OLZOCXBDSA-N
XLogP1.00
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)methyl]-4-methylpiperidine-3,4-diol
CID 69106342
6-benzyl-6-azaspiro[2.5]octan-8-ol
CID 66783213
1-[(3S,4S)-1-benzyl-4-hydroxy-4-methylpiperidin-3-yl]ethanone
CID 54122548
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343550
2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol
CID 117025569
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
4-[[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]methyl]benzoic acid
CID 56758982
(3S,4S)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-4-methylpiperidine-3,4-diol
CID 72891435
(3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol
CID 133117855
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol?
The IUPAC name of (3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol (CID 69059860) is (3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol is C[C@]1(O)CCN(Cc2ccccc2)C[C@H]1O.
What is the InChIKey of (3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol?
The InChIKey is CUSSPDRDTHKEME-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(16)7-8-14(10-12(13)15)9-11-5-3-2-4-6-11/h2-6,12,15-16H,7-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of (3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol?
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol has a molecular weight of 221.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol is sourced from PubChem (CID 69059860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).