4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol

C10H16N2O2 — CID 114938817

IUPAC4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol
SMILESCOc1ccc(C(CN)CCO)cn1
InChIInChI=1S/C10H16N2O2/c1-14-10-3-2-9(7-12-10)8(6-11)4-5-13/h2-3,7-8,13H,4-6,11H2,1H3
InChIKeyUJVKQVBQVHPKPK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.51
Rot. Bonds5

About 4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol

4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol (PubChem CID 114938817) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol
PubChem CID114938817
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol
SMILESCOc1ccc(C(CN)CCO)cn1
InChIInChI=1S/C10H16N2O2/c1-14-10-3-2-9(7-12-10)8(6-11)4-5-13/h2-3,7-8,13H,4-6,11H2,1H3
InChIKeyUJVKQVBQVHPKPK-UHFFFAOYSA-N
XLogP0.51
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol
CID 114939064
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
2-methoxy-5-pentan-3-ylpyridine
CID 123545685
(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171203594
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol
CID 171247598
(1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride
CID 171203596
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177
1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 114937039
3-(6-amino-3-pyridinyl)pentane-1,5-diol
CID 118045558
3-(6-bromo-3-pyridinyl)pentane-1,5-diol
CID 165356587
2-methoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937935
(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
CID 130700644

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol?
The IUPAC name of 4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol (CID 114938817) is 4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol.
What is the SMILES notation for 4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol?
The canonical SMILES for 4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol is COc1ccc(C(CN)CCO)cn1.
What is the InChIKey of 4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol?
The InChIKey is UJVKQVBQVHPKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-14-10-3-2-9(7-12-10)8(6-11)4-5-13/h2-3,7-8,13H,4-6,11H2,1H3.
What are the key properties of 4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol?
4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 114938817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).