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

C17H26N2O — CID 61255839

IUPAC[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(N2CCC3CCCCC3C2)n1
InChIInChI=1S/C17H26N2O/c1-12-9-13(2)18-17(16(12)11-20)19-8-7-14-5-3-4-6-15(14)10-19/h9,14-15,20H,3-8,10-11H2,1-2H3
InChIKeyRLCHAACYKSYFHX-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.21
Rot. Bonds2

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

[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol (PubChem CID 61255839) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol
PubChem CID61255839
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(N2CCC3CCCCC3C2)n1
InChIInChI=1S/C17H26N2O/c1-12-9-13(2)18-17(16(12)11-20)19-8-7-14-5-3-4-6-15(14)10-19/h9,14-15,20H,3-8,10-11H2,1-2H3
InChIKeyRLCHAACYKSYFHX-UHFFFAOYSA-N
XLogP3.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol?
The IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol (CID 61255839) is [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol.
What is the SMILES notation for [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol?
The canonical SMILES for [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol is Cc1cc(C)c(CO)c(N2CCC3CCCCC3C2)n1.
What is the InChIKey of [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol?
The InChIKey is RLCHAACYKSYFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-9-13(2)18-17(16(12)11-20)19-8-7-14-5-3-4-6-15(14)10-19/h9,14-15,20H,3-8,10-11H2,1-2H3.
What are the key properties of [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol?
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol has a molecular weight of 274.41 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol is sourced from PubChem (CID 61255839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).