2-(pyridin-4-ylmethylamino)cyclobutan-1-ol

C10H14N2O — CID 126856533

IUPAC2-(pyridin-4-ylmethylamino)cyclobutan-1-ol
SMILESOC1CCC1NCc1ccncc1
InChIInChI=1S/C10H14N2O/c13-10-2-1-9(10)12-7-8-3-5-11-6-4-8/h3-6,9-10,12-13H,1-2,7H2
InChIKeyGULNSKMJZJYYIC-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.69
Rot. Bonds3

About 2-(pyridin-4-ylmethylamino)cyclobutan-1-ol

2-(pyridin-4-ylmethylamino)cyclobutan-1-ol (PubChem CID 126856533) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name2-(pyridin-4-ylmethylamino)cyclobutan-1-ol
PubChem CID126856533
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-(pyridin-4-ylmethylamino)cyclobutan-1-ol
SMILESOC1CCC1NCc1ccncc1
InChIInChI=1S/C10H14N2O/c13-10-2-1-9(10)12-7-8-3-5-11-6-4-8/h3-6,9-10,12-13H,1-2,7H2
InChIKeyGULNSKMJZJYYIC-UHFFFAOYSA-N
XLogP0.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethylamino)cyclobutan-1-ol?
The IUPAC name of 2-(pyridin-4-ylmethylamino)cyclobutan-1-ol (CID 126856533) is 2-(pyridin-4-ylmethylamino)cyclobutan-1-ol.
What is the SMILES notation for 2-(pyridin-4-ylmethylamino)cyclobutan-1-ol?
The canonical SMILES for 2-(pyridin-4-ylmethylamino)cyclobutan-1-ol is OC1CCC1NCc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylmethylamino)cyclobutan-1-ol?
The InChIKey is GULNSKMJZJYYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-10-2-1-9(10)12-7-8-3-5-11-6-4-8/h3-6,9-10,12-13H,1-2,7H2.
What are the key properties of 2-(pyridin-4-ylmethylamino)cyclobutan-1-ol?
2-(pyridin-4-ylmethylamino)cyclobutan-1-ol has a molecular weight of 178.24 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethylamino)cyclobutan-1-ol is sourced from PubChem (CID 126856533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).