[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol

C15H22N2O — CID 61255838

IUPAC[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol
SMILESOCc1cc(N2CCC3CCCCC3C2)ccn1
InChIInChI=1S/C15H22N2O/c18-11-14-9-15(5-7-16-14)17-8-6-12-3-1-2-4-13(12)10-17/h5,7,9,12-13,18H,1-4,6,8,10-11H2
InChIKeyMSYVUWDYURJCNJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.59
Rot. Bonds2

About [4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol

[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol (PubChem CID 61255838) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol
PubChem CID61255838
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol
SMILESOCc1cc(N2CCC3CCCCC3C2)ccn1
InChIInChI=1S/C15H22N2O/c18-11-14-9-15(5-7-16-14)17-8-6-12-3-1-2-4-13(12)10-17/h5,7,9,12-13,18H,1-4,6,8,10-11H2
InChIKeyMSYVUWDYURJCNJ-UHFFFAOYSA-N
XLogP2.59
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol?
The IUPAC name of [4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol (CID 61255838) is [4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol?
The canonical SMILES for [4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol is OCc1cc(N2CCC3CCCCC3C2)ccn1.
What is the InChIKey of [4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol?
The InChIKey is MSYVUWDYURJCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-11-14-9-15(5-7-16-14)17-8-6-12-3-1-2-4-13(12)10-17/h5,7,9,12-13,18H,1-4,6,8,10-11H2.
What are the key properties of [4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol?
[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol has a molecular weight of 246.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 61255838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).