(2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol

C14H19NO — CID 57351473

IUPAC(2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol
SMILESOCC1C2CCN(CC2)C1c1ccccc1
InChIInChI=1S/C14H19NO/c16-10-13-11-6-8-15(9-7-11)14(13)12-4-2-1-3-5-12/h1-5,11,13-14,16H,6-10H2
InChIKeyMWZMSITXQMAVSR-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.06
Rot. Bonds2

About (2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol

(2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol (PubChem CID 57351473) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol.

Molecular Properties

Compound Name(2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol
PubChem CID57351473
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol
SMILESOCC1C2CCN(CC2)C1c1ccccc1
InChIInChI=1S/C14H19NO/c16-10-13-11-6-8-15(9-7-11)14(13)12-4-2-1-3-5-12/h1-5,11,13-14,16H,6-10H2
InChIKeyMWZMSITXQMAVSR-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67591095
[(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
CID 46850464
N-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67924228
3-hydroxy-1-[(2S,3S,6S)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]propan-1-one
CID 133132915
(2R,3S)-2-benzyl-1-azabicyclo[2.2.2]octan-3-ol
CID 11042184
6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one
CID 123952742
[(1S,2S)-2-phenylcyclobutyl]methanol
CID 99991987
[(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol
CID 102310526
[(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol
CID 134970001
[(4R,5R)-3-methyl-4-phenyl-1,3-oxazolidin-5-yl]methanol
CID 101352281
N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 134698892
3-phenyl-1-azabicyclo[2.2.2]octane
CID 604334

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol?
The IUPAC name of (2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol (CID 57351473) is (2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol.
What is the SMILES notation for (2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol?
The canonical SMILES for (2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol is OCC1C2CCN(CC2)C1c1ccccc1.
What is the InChIKey of (2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol?
The InChIKey is MWZMSITXQMAVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-10-13-11-6-8-15(9-7-11)14(13)12-4-2-1-3-5-12/h1-5,11,13-14,16H,6-10H2.
What are the key properties of (2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol?
(2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol has a molecular weight of 217.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol is sourced from PubChem (CID 57351473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).