4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol

C15H24N2O — CID 102960910

IUPAC4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol
SMILESCNCc1ccc(N2CCC(C)C(O)C2)c(C)c1
InChIInChI=1S/C15H24N2O/c1-11-6-7-17(10-15(11)18)14-5-4-13(9-16-3)8-12(14)2/h4-5,8,11,15-16,18H,6-7,9-10H2,1-3H3
InChIKeyWIBIIIQUEWANEG-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.92
Rot. Bonds3

About 4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol

4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol (PubChem CID 102960910) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol
PubChem CID102960910
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol
SMILESCNCc1ccc(N2CCC(C)C(O)C2)c(C)c1
InChIInChI=1S/C15H24N2O/c1-11-6-7-17(10-15(11)18)14-5-4-13(9-16-3)8-12(14)2/h4-5,8,11,15-16,18H,6-7,9-10H2,1-3H3
InChIKeyWIBIIIQUEWANEG-UHFFFAOYSA-N
XLogP1.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol?
The IUPAC name of 4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol (CID 102960910) is 4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol?
The canonical SMILES for 4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol is CNCc1ccc(N2CCC(C)C(O)C2)c(C)c1.
What is the InChIKey of 4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol?
The InChIKey is WIBIIIQUEWANEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-7-17(10-15(11)18)14-5-4-13(9-16-3)8-12(14)2/h4-5,8,11,15-16,18H,6-7,9-10H2,1-3H3.
What are the key properties of 4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol?
4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol has a molecular weight of 248.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol is sourced from PubChem (CID 102960910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).