2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol

C14H19NO — CID 58099616

IUPAC2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol
SMILESCC1C2CC(O)C1N(Cc1ccccc1)C2
InChIInChI=1S/C14H19NO/c1-10-12-7-13(16)14(10)15(9-12)8-11-5-3-2-4-6-11/h2-6,10,12-14,16H,7-9H2,1H3
InChIKeyNGZYWUWZWJZSET-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.89
Rot. Bonds2

About 2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol

2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol (PubChem CID 58099616) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol.

Molecular Properties

Compound Name2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol
PubChem CID58099616
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol
SMILESCC1C2CC(O)C1N(Cc1ccccc1)C2
InChIInChI=1S/C14H19NO/c1-10-12-7-13(16)14(10)15(9-12)8-11-5-3-2-4-6-11/h2-6,10,12-14,16H,7-9H2,1H3
InChIKeyNGZYWUWZWJZSET-UHFFFAOYSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
(3R,4S,5S)-1-benzyl-4,5-dimethylpyrrolidin-3-ol
CID 118651472
(3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol
CID 11469758
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
2-benzyl-7-bromo-6-methoxy-2-azabicyclo[2.2.1]heptane
CID 562925
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325
(3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol
CID 67789671
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine
CID 130023473
(1R,4S,6S)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 15669538

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol?
The IUPAC name of 2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol (CID 58099616) is 2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol.
What is the SMILES notation for 2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol?
The canonical SMILES for 2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol is CC1C2CC(O)C1N(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol?
The InChIKey is NGZYWUWZWJZSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-12-7-13(16)14(10)15(9-12)8-11-5-3-2-4-6-11/h2-6,10,12-14,16H,7-9H2,1H3.
What are the key properties of 2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol?
2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol has a molecular weight of 217.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol is sourced from PubChem (CID 58099616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).