[(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol

C14H19NO — CID 164554356

IUPAC[(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
SMILESOC[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1ccccc1
InChIInChI=1S/C14H19NO/c16-10-14-12-6-7-13(8-12)15(14)9-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14-/m1/s1
InChIKeyBJZCYPSEEBNGLR-HZSPNIEDSA-N
MW217.31 g/mol
LogP2.03
Rot. Bonds3

About [(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol

[(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol (PubChem CID 164554356) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is [(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol.

Molecular Properties

Compound Name[(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
PubChem CID164554356
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name[(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
SMILESOC[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1ccccc1
InChIInChI=1S/C14H19NO/c16-10-14-12-6-7-13(8-12)15(14)9-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14-/m1/s1
InChIKeyBJZCYPSEEBNGLR-HZSPNIEDSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3R,4R)-2-benzyl-3-(phenylsulfanylmethyl)-2-azabicyclo[2.2.1]heptane
CID 102413196
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
methyl (1S,3R,4R)-2-benzyl-2-azabicyclo[2.2.1]heptane-3-carboxylate
CID 11043017
(S)-[(1S,3R,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]-phenylmethanol
CID 10957333
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
[(1S,3S,4R)-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 102488734
[(1R,3S,4S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 25324057
1-benzyl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 67340937
(1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
CID 10751259
8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 154275315

Frequently Asked Questions

What is the IUPAC name of [(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The IUPAC name of [(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol (CID 164554356) is [(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol.
What is the SMILES notation for [(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The canonical SMILES for [(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol is OC[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1ccccc1.
What is the InChIKey of [(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The InChIKey is BJZCYPSEEBNGLR-HZSPNIEDSA-N. The full InChI is InChI=1S/C14H19NO/c16-10-14-12-6-7-13(8-12)15(14)9-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14-/m1/s1.
What are the key properties of [(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
[(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol has a molecular weight of 217.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol is sourced from PubChem (CID 164554356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).