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

C13H19NO2 — CID 69332909

IUPAC(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
SMILESC[C@@]1(O)CN(Cc2ccccc2)CC[C@@H]1O
InChIInChI=1S/C13H19NO2/c1-13(16)10-14(8-7-12(13)15)9-11-5-3-2-4-6-11/h2-6,12,15-16H,7-10H2,1H3/t12-,13+/m0/s1
InChIKeyQATBNVBBTPTTJW-QWHCGFSZSA-N
MW221.30 g/mol
LogP1.00
Rot. Bonds2

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

(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol (PubChem CID 69332909) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
PubChem CID69332909
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
SMILESC[C@@]1(O)CN(Cc2ccccc2)CC[C@@H]1O
InChIInChI=1S/C13H19NO2/c1-13(16)10-14(8-7-12(13)15)9-11-5-3-2-4-6-11/h2-6,12,15-16H,7-10H2,1H3/t12-,13+/m0/s1
InChIKeyQATBNVBBTPTTJW-QWHCGFSZSA-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

(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
7-benzyl-7-azaspiro[4.5]decan-10-ol
CID 82384805
3-[(4-hydroxy-3,3-dimethylpiperidin-1-yl)methyl]benzoic acid
CID 112747193
(1S,6R)-3-benzyl-1-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 24861877
1-benzyl-2,2-dimethylpyrrolidin-3-ol
CID 83848241
(3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid
CID 155919412
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
(1-benzylpiperidin-4-yl)-dimethylazanium
CID 86306723
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
(3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol
CID 124835491

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol?
The IUPAC name of (3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol (CID 69332909) is (3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol is C[C@@]1(O)CN(Cc2ccccc2)CC[C@@H]1O.
What is the InChIKey of (3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol?
The InChIKey is QATBNVBBTPTTJW-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(16)10-14(8-7-12(13)15)9-11-5-3-2-4-6-11/h2-6,12,15-16H,7-10H2,1H3/t12-,13+/m0/s1.
What are the key properties of (3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol?
(3R,4S)-1-benzyl-3-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-3-methylpiperidine-3,4-diol is sourced from PubChem (CID 69332909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).