(1S,5R)-3-propan-2-yl-8-(pyridin-4-ylmethoxy)-3,8-diazabicyclo[3.2.1]octane

C15H23N3O — CID 137444382

IUPAC(1S,5R)-3-propan-2-yl-8-(pyridin-4-ylmethoxy)-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C[C@H]2CC[C@@H](C1)N2OCc1ccncc1
InChIInChI=1S/C15H23N3O/c1-12(2)17-9-14-3-4-15(10-17)18(14)19-11-13-5-7-16-8-6-13/h5-8,12,14-15H,3-4,9-11H2,1-2H3/t14-,15+
InChIKeyZUQZEESYKYBLBA-GASCZTMLSA-N
MW261.37 g/mol
LogP2.07
Rot. Bonds4

About (1S,5R)-3-propan-2-yl-8-(pyridin-4-ylmethoxy)-3,8-diazabicyclo[3.2.1]octane

(1S,5R)-3-propan-2-yl-8-(pyridin-4-ylmethoxy)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 137444382) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (1S,5R)-3-propan-2-yl-8-(pyridin-4-ylmethoxy)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-propan-2-yl-8-(pyridin-4-ylmethoxy)-3,8-diazabicyclo[3.2.1]octane
PubChem CID137444382
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(1S,5R)-3-propan-2-yl-8-(pyridin-4-ylmethoxy)-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C[C@H]2CC[C@@H](C1)N2OCc1ccncc1
InChIInChI=1S/C15H23N3O/c1-12(2)17-9-14-3-4-15(10-17)18(14)19-11-13-5-7-16-8-6-13/h5-8,12,14-15H,3-4,9-11H2,1-2H3/t14-,15+
InChIKeyZUQZEESYKYBLBA-GASCZTMLSA-N
XLogP2.07
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-propan-2-yl-8-(pyridin-4-ylmethoxy)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-propan-2-yl-8-(pyridin-4-ylmethoxy)-3,8-diazabicyclo[3.2.1]octane (CID 137444382) is (1S,5R)-3-propan-2-yl-8-(pyridin-4-ylmethoxy)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-propan-2-yl-8-(pyridin-4-ylmethoxy)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-propan-2-yl-8-(pyridin-4-ylmethoxy)-3,8-diazabicyclo[3.2.1]octane is CC(C)N1C[C@H]2CC[C@@H](C1)N2OCc1ccncc1.
What is the InChIKey of (1S,5R)-3-propan-2-yl-8-(pyridin-4-ylmethoxy)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is ZUQZEESYKYBLBA-GASCZTMLSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(2)17-9-14-3-4-15(10-17)18(14)19-11-13-5-7-16-8-6-13/h5-8,12,14-15H,3-4,9-11H2,1-2H3/t14-,15+.
What are the key properties of (1S,5R)-3-propan-2-yl-8-(pyridin-4-ylmethoxy)-3,8-diazabicyclo[3.2.1]octane?
(1S,5R)-3-propan-2-yl-8-(pyridin-4-ylmethoxy)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 261.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-propan-2-yl-8-(pyridin-4-ylmethoxy)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 137444382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).