[(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol

C16H23NO2 — CID 125458660

IUPAC[(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol
SMILESC[C@@H]1C[C@@]2(CO)CN(Cc3ccccc3)CC[C@H]2O1
InChIInChI=1S/C16H23NO2/c1-13-9-16(12-18)11-17(8-7-15(16)19-13)10-14-5-3-2-4-6-14/h2-6,13,15,18H,7-12H2,1H3/t13-,15-,16+/m1/s1
InChIKeyVGBCYGHICHZLQC-BMFZPTHFSA-N
MW261.36 g/mol
LogP2.05
Rot. Bonds3

About [(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol

[(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol (PubChem CID 125458660) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is [(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol.

Molecular Properties

Compound Name[(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol
PubChem CID125458660
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name[(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol
SMILESC[C@@H]1C[C@@]2(CO)CN(Cc3ccccc3)CC[C@H]2O1
InChIInChI=1S/C16H23NO2/c1-13-9-16(12-18)11-17(8-7-15(16)19-13)10-14-5-3-2-4-6-14/h2-6,13,15,18H,7-12H2,1H3/t13-,15-,16+/m1/s1
InChIKeyVGBCYGHICHZLQC-BMFZPTHFSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol with MolForge

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Related Compounds

(2R,3aS,7aS)-5-benzyl-3a-(bromomethyl)-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 125458785
(1S,6R)-3-benzyl-1-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 24861877
(1R,6S)-3-benzyl-1-ethyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 639290
3-benzyl-3-azabicyclo[4.1.0]heptane-1-carbaldehyde;(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methanol;methane
CID 158201630
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
N-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide
CID 23449356
3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine
CID 82658680
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
[(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol
CID 169228655
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
2-[[(4aS,8aS)-6-benzyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97387454

Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol?
The IUPAC name of [(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol (CID 125458660) is [(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol.
What is the SMILES notation for [(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol?
The canonical SMILES for [(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol is C[C@@H]1C[C@@]2(CO)CN(Cc3ccccc3)CC[C@H]2O1.
What is the InChIKey of [(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol?
The InChIKey is VGBCYGHICHZLQC-BMFZPTHFSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-9-16(12-18)11-17(8-7-15(16)19-13)10-14-5-3-2-4-6-14/h2-6,13,15,18H,7-12H2,1H3/t13-,15-,16+/m1/s1.
What are the key properties of [(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol?
[(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol has a molecular weight of 261.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol is sourced from PubChem (CID 125458660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).