4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol

C19H30N2O2 — CID 50951350

IUPAC4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol
SMILESCc1ccc(O)c(CN2CCCCC2CCN2CCOCC2)c1
InChIInChI=1S/C19H30N2O2/c1-16-5-6-19(22)17(14-16)15-21-8-3-2-4-18(21)7-9-20-10-12-23-13-11-20/h5-6,14,18,22H,2-4,7-13,15H2,1H3
InChIKeyKRMHSMAHABACJO-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.78
Rot. Bonds5

About 4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol

4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol (PubChem CID 50951350) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol
PubChem CID50951350
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol
SMILESCc1ccc(O)c(CN2CCCCC2CCN2CCOCC2)c1
InChIInChI=1S/C19H30N2O2/c1-16-5-6-19(22)17(14-16)15-21-8-3-2-4-18(21)7-9-20-10-12-23-13-11-20/h5-6,14,18,22H,2-4,7-13,15H2,1H3
InChIKeyKRMHSMAHABACJO-UHFFFAOYSA-N
XLogP2.78
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol (CID 50951350) is 4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol is Cc1ccc(O)c(CN2CCCCC2CCN2CCOCC2)c1.
What is the InChIKey of 4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is KRMHSMAHABACJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-16-5-6-19(22)17(14-16)15-21-8-3-2-4-18(21)7-9-20-10-12-23-13-11-20/h5-6,14,18,22H,2-4,7-13,15H2,1H3.
What are the key properties of 4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol?
4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 318.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 50951350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).