(1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol

C15H21NO2 — CID 167380998

IUPAC(1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol
SMILESOC[C@H]1[C@H]2C[C@H](CN(Cc3ccccc3)C2)[C@@H]1O
InChIInChI=1S/C15H21NO2/c17-10-14-12-6-13(15(14)18)9-16(8-12)7-11-4-2-1-3-5-11/h1-5,12-15,17-18H,6-10H2/t12-,13+,14-,15-/m0/s1
InChIKeyLPRSLERZZZXLET-XGUBFFRZSA-N
MW247.34 g/mol
LogP1.11
Rot. Bonds3

About (1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol

(1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol (PubChem CID 167380998) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol.

Molecular Properties

Compound Name(1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol
PubChem CID167380998
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol
SMILESOC[C@H]1[C@H]2C[C@H](CN(Cc3ccccc3)C2)[C@@H]1O
InChIInChI=1S/C15H21NO2/c17-10-14-12-6-13(15(14)18)9-16(8-12)7-11-4-2-1-3-5-11/h1-5,12-15,17-18H,6-10H2/t12-,13+,14-,15-/m0/s1
InChIKeyLPRSLERZZZXLET-XGUBFFRZSA-N
XLogP1.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol with MolForge

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Related Compounds

(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
CID 24823154
[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
CID 89440832
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(1S,5S)-3-benzyl-3-azabicyclo[3.1.1]heptane-6-carboxylic acid
CID 98105075
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
3-benzyl-3-azabicyclo[3.1.1]heptan-6-amine;dihydrochloride
CID 154704150
7-benzyl-3,3-dioxo-3λ6-thia-7-azabicyclo[3.3.1]nonan-9-ol
CID 58414535
(1S,5S,8R)-3-benzyl-6-oxa-3-azabicyclo[3.2.1]octan-8-ol
CID 98010122
3-azabicyclo[3.1.0]hexane;3-benzyl-3-azabicyclo[3.1.0]hexane;methanol;hydrochloride
CID 160557029

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol?
The IUPAC name of (1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol (CID 167380998) is (1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol.
What is the SMILES notation for (1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol?
The canonical SMILES for (1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol is OC[C@H]1[C@H]2C[C@H](CN(Cc3ccccc3)C2)[C@@H]1O.
What is the InChIKey of (1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol?
The InChIKey is LPRSLERZZZXLET-XGUBFFRZSA-N. The full InChI is InChI=1S/C15H21NO2/c17-10-14-12-6-13(15(14)18)9-16(8-12)7-11-4-2-1-3-5-11/h1-5,12-15,17-18H,6-10H2/t12-,13+,14-,15-/m0/s1.
What are the key properties of (1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol?
(1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol has a molecular weight of 247.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S,7R)-3-benzyl-7-(hydroxymethyl)-3-azabicyclo[3.2.1]octan-6-ol is sourced from PubChem (CID 167380998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).