(1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol

C10H18N2O — CID 59743040

IUPAC(1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1C[C@H]2CC[C@@H](C1)N2C1CNC1
InChIInChI=1S/C10H18N2O/c13-10-3-7-1-2-8(4-10)12(7)9-5-11-6-9/h7-11,13H,1-6H2/t7-,8+,10?
InChIKeyFBDHBTBBWJKEEY-JWHQNHQBSA-N
MW182.27 g/mol
LogP-0.05
Rot. Bonds1

About (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol

(1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 59743040) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID59743040
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1C[C@H]2CC[C@@H](C1)N2C1CNC1
InChIInChI=1S/C10H18N2O/c13-10-3-7-1-2-8(4-10)12(7)9-5-11-6-9/h7-11,13H,1-6H2/t7-,8+,10?
InChIKeyFBDHBTBBWJKEEY-JWHQNHQBSA-N
XLogP-0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 59743040) is (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1C[C@H]2CC[C@@H](C1)N2C1CNC1.
What is the InChIKey of (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FBDHBTBBWJKEEY-JWHQNHQBSA-N. The full InChI is InChI=1S/C10H18N2O/c13-10-3-7-1-2-8(4-10)12(7)9-5-11-6-9/h7-11,13H,1-6H2/t7-,8+,10?.
What are the key properties of (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol?
(1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 182.27 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 59743040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).