4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol

C15H25NO2 — CID 145198246

IUPAC4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol
SMILESCC(C)C1=CC=C(OC2CCC(O)CC2)CN1C
InChIInChI=1S/C15H25NO2/c1-11(2)15-9-8-14(10-16(15)3)18-13-6-4-12(17)5-7-13/h8-9,11-13,17H,4-7,10H2,1-3H3
InChIKeyGQNMWMVAWJACKH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.68
Rot. Bonds3

About 4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol

4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol (PubChem CID 145198246) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol
PubChem CID145198246
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol
SMILESCC(C)C1=CC=C(OC2CCC(O)CC2)CN1C
InChIInChI=1S/C15H25NO2/c1-11(2)15-9-8-14(10-16(15)3)18-13-6-4-12(17)5-7-13/h8-9,11-13,17H,4-7,10H2,1-3H3
InChIKeyGQNMWMVAWJACKH-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol?
The IUPAC name of 4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol (CID 145198246) is 4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol?
The canonical SMILES for 4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol is CC(C)C1=CC=C(OC2CCC(O)CC2)CN1C.
What is the InChIKey of 4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol?
The InChIKey is GQNMWMVAWJACKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)15-9-8-14(10-16(15)3)18-13-6-4-12(17)5-7-13/h8-9,11-13,17H,4-7,10H2,1-3H3.
What are the key properties of 4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol?
4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol is sourced from PubChem (CID 145198246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).