4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-1,2,3,4-tetrahydropyridin-6-ol

C11H18N2O — CID 118548891

IUPAC4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-1,2,3,4-tetrahydropyridin-6-ol
SMILESCC1=CC(C2C=C(O)NCC2)CNC1
InChIInChI=1S/C11H18N2O/c1-8-4-10(7-12-6-8)9-2-3-13-11(14)5-9/h4-5,9-10,12-14H,2-3,6-7H2,1H3
InChIKeyNKOZJJVGMUZKLE-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.16
Rot. Bonds1

About 4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-1,2,3,4-tetrahydropyridin-6-ol

4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-1,2,3,4-tetrahydropyridin-6-ol (PubChem CID 118548891) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-1,2,3,4-tetrahydropyridin-6-ol.

Molecular Properties

Compound Name4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-1,2,3,4-tetrahydropyridin-6-ol
PubChem CID118548891
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-1,2,3,4-tetrahydropyridin-6-ol
SMILESCC1=CC(C2C=C(O)NCC2)CNC1
InChIInChI=1S/C11H18N2O/c1-8-4-10(7-12-6-8)9-2-3-13-11(14)5-9/h4-5,9-10,12-14H,2-3,6-7H2,1H3
InChIKeyNKOZJJVGMUZKLE-UHFFFAOYSA-N
XLogP1.16
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-1,2,3,4-tetrahydropyridin-6-ol?
The IUPAC name of 4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-1,2,3,4-tetrahydropyridin-6-ol (CID 118548891) is 4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-1,2,3,4-tetrahydropyridin-6-ol.
What is the SMILES notation for 4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-1,2,3,4-tetrahydropyridin-6-ol?
The canonical SMILES for 4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-1,2,3,4-tetrahydropyridin-6-ol is CC1=CC(C2C=C(O)NCC2)CNC1.
What is the InChIKey of 4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-1,2,3,4-tetrahydropyridin-6-ol?
The InChIKey is NKOZJJVGMUZKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-4-10(7-12-6-8)9-2-3-13-11(14)5-9/h4-5,9-10,12-14H,2-3,6-7H2,1H3.
What are the key properties of 4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-1,2,3,4-tetrahydropyridin-6-ol?
4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-1,2,3,4-tetrahydropyridin-6-ol has a molecular weight of 194.28 g/mol, XLogP of 1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-1,2,3,4-tetrahydropyridin-6-ol is sourced from PubChem (CID 118548891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).