3-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol

C12H19NO — CID 118548966

IUPAC3-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol
SMILESCC1=CC(C2C=C(O)CCC2)CNC1
InChIInChI=1S/C12H19NO/c1-9-5-11(8-13-7-9)10-3-2-4-12(14)6-10/h5-6,10-11,13-14H,2-4,7-8H2,1H3
InChIKeyQATWZXKNGVZGLX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.39
Rot. Bonds1

About 3-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol

3-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol (PubChem CID 118548966) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol.

Molecular Properties

Compound Name3-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol
PubChem CID118548966
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol
SMILESCC1=CC(C2C=C(O)CCC2)CNC1
InChIInChI=1S/C12H19NO/c1-9-5-11(8-13-7-9)10-3-2-4-12(14)6-10/h5-6,10-11,13-14H,2-4,7-8H2,1H3
InChIKeyQATWZXKNGVZGLX-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol?
The IUPAC name of 3-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol (CID 118548966) is 3-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol.
What is the SMILES notation for 3-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol?
The canonical SMILES for 3-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol is CC1=CC(C2C=C(O)CCC2)CNC1.
What is the InChIKey of 3-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol?
The InChIKey is QATWZXKNGVZGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-5-11(8-13-7-9)10-3-2-4-12(14)6-10/h5-6,10-11,13-14H,2-4,7-8H2,1H3.
What are the key properties of 3-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol?
3-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol is sourced from PubChem (CID 118548966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).