(S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethanol

C14H19NO — CID 13395314

IUPAC(S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethanol
SMILESO[C@@H](c1ccccc1)[C@@H]1CC2CCN1CC2
InChIInChI=1S/C14H19NO/c16-14(12-4-2-1-3-5-12)13-10-11-6-8-15(13)9-7-11/h1-5,11,13-14,16H,6-10H2/t13-,14-/m0/s1
InChIKeyPWPTXBISWPQFLV-KBPBESRZSA-N
MW217.31 g/mol
LogP2.20
Rot. Bonds2

About (S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethanol

(S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethanol (PubChem CID 13395314) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethanol
PubChem CID13395314
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethanol
SMILESO[C@@H](c1ccccc1)[C@@H]1CC2CCN1CC2
InChIInChI=1S/C14H19NO/c16-14(12-4-2-1-3-5-12)13-10-11-6-8-15(13)9-7-11/h1-5,11,13-14,16H,6-10H2/t13-,14-/m0/s1
InChIKeyPWPTXBISWPQFLV-KBPBESRZSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethanol?
The IUPAC name of (S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethanol (CID 13395314) is (S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethanol.
What is the SMILES notation for (S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethanol?
The canonical SMILES for (S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethanol is O[C@@H](c1ccccc1)[C@@H]1CC2CCN1CC2.
What is the InChIKey of (S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethanol?
The InChIKey is PWPTXBISWPQFLV-KBPBESRZSA-N. The full InChI is InChI=1S/C14H19NO/c16-14(12-4-2-1-3-5-12)13-10-11-6-8-15(13)9-7-11/h1-5,11,13-14,16H,6-10H2/t13-,14-/m0/s1.
What are the key properties of (S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethanol?
(S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethanol has a molecular weight of 217.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethanol is sourced from PubChem (CID 13395314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).