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

C13H24N2O — CID 167165117

IUPAC1,4-dimethyl-3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)piperidin-4-ol
SMILESCC1=C(C2CN(C)CCC2(C)O)CNCC1
InChIInChI=1S/C13H24N2O/c1-10-4-6-14-8-11(10)12-9-15(3)7-5-13(12,2)16/h12,14,16H,4-9H2,1-3H3
InChIKeyNWYQICILWRYCJY-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.00
Rot. Bonds1

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

1,4-dimethyl-3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)piperidin-4-ol (PubChem CID 167165117) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,4-dimethyl-3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)piperidin-4-ol.

Molecular Properties

Compound Name1,4-dimethyl-3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)piperidin-4-ol
PubChem CID167165117
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1,4-dimethyl-3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)piperidin-4-ol
SMILESCC1=C(C2CN(C)CCC2(C)O)CNCC1
InChIInChI=1S/C13H24N2O/c1-10-4-6-14-8-11(10)12-9-15(3)7-5-13(12,2)16/h12,14,16H,4-9H2,1-3H3
InChIKeyNWYQICILWRYCJY-UHFFFAOYSA-N
XLogP1.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
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 1,4-dimethyl-3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)piperidin-4-ol?
The IUPAC name of 1,4-dimethyl-3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)piperidin-4-ol (CID 167165117) is 1,4-dimethyl-3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)piperidin-4-ol.
What is the SMILES notation for 1,4-dimethyl-3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)piperidin-4-ol?
The canonical SMILES for 1,4-dimethyl-3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)piperidin-4-ol is CC1=C(C2CN(C)CCC2(C)O)CNCC1.
What is the InChIKey of 1,4-dimethyl-3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)piperidin-4-ol?
The InChIKey is NWYQICILWRYCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-4-6-14-8-11(10)12-9-15(3)7-5-13(12,2)16/h12,14,16H,4-9H2,1-3H3.
What are the key properties of 1,4-dimethyl-3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)piperidin-4-ol?
1,4-dimethyl-3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)piperidin-4-ol has a molecular weight of 224.35 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)piperidin-4-ol is sourced from PubChem (CID 167165117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).