3-[[4-[(5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutan-1-ol;hydrochloride

C15H22ClN3O2 — CID 175766199

IUPAC3-[[4-[(5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutan-1-ol;hydrochloride
SMILESCl.OC1CC(Oc2cc(N3C4CC[C@H]3CNC4)ccn2)C1
InChIInChI=1S/C15H21N3O2.ClH/c19-13-6-14(7-13)20-15-5-10(3-4-17-15)18-11-1-2-12(18)9-16-8-11;/h3-5,11-14,16,19H,1-2,6-9H2;1H/t11-,12?,13?,14?;/m0./s1
InChIKeyOSBNTJSVRXNARS-VYOFPYHBSA-N
MW311.81 g/mol
LogP1.35
Rot. Bonds3

About 3-[[4-[(5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutan-1-ol;hydrochloride

3-[[4-[(5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutan-1-ol;hydrochloride (PubChem CID 175766199) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-[[4-[(5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-[[4-[(5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutan-1-ol;hydrochloride
PubChem CID175766199
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-[[4-[(5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutan-1-ol;hydrochloride
SMILESCl.OC1CC(Oc2cc(N3C4CC[C@H]3CNC4)ccn2)C1
InChIInChI=1S/C15H21N3O2.ClH/c19-13-6-14(7-13)20-15-5-10(3-4-17-15)18-11-1-2-12(18)9-16-8-11;/h3-5,11-14,16,19H,1-2,6-9H2;1H/t11-,12?,13?,14?;/m0./s1
InChIKeyOSBNTJSVRXNARS-VYOFPYHBSA-N
XLogP1.35
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutan-1-ol;hydrochloride?
The IUPAC name of 3-[[4-[(5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutan-1-ol;hydrochloride (CID 175766199) is 3-[[4-[(5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutan-1-ol;hydrochloride.
What is the SMILES notation for 3-[[4-[(5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutan-1-ol;hydrochloride?
The canonical SMILES for 3-[[4-[(5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutan-1-ol;hydrochloride is Cl.OC1CC(Oc2cc(N3C4CC[C@H]3CNC4)ccn2)C1.
What is the InChIKey of 3-[[4-[(5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutan-1-ol;hydrochloride?
The InChIKey is OSBNTJSVRXNARS-VYOFPYHBSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c19-13-6-14(7-13)20-15-5-10(3-4-17-15)18-11-1-2-12(18)9-16-8-11;/h3-5,11-14,16,19H,1-2,6-9H2;1H/t11-,12?,13?,14?;/m0./s1.
What are the key properties of 3-[[4-[(5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutan-1-ol;hydrochloride?
3-[[4-[(5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutan-1-ol;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]cyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 175766199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).