2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol

C16H26N2O — CID 82975221

IUPAC2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol
SMILESCCC(c1ccccc1O)N(C)C1CCN(C)CC1
InChIInChI=1S/C16H26N2O/c1-4-15(14-7-5-6-8-16(14)19)18(3)13-9-11-17(2)12-10-13/h5-8,13,15,19H,4,9-12H2,1-3H3
InChIKeyOMOCJKKTVZKCAE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.87
Rot. Bonds4

About 2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol

2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol (PubChem CID 82975221) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol
PubChem CID82975221
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol
SMILESCCC(c1ccccc1O)N(C)C1CCN(C)CC1
InChIInChI=1S/C16H26N2O/c1-4-15(14-7-5-6-8-16(14)19)18(3)13-9-11-17(2)12-10-13/h5-8,13,15,19H,4,9-12H2,1-3H3
InChIKeyOMOCJKKTVZKCAE-UHFFFAOYSA-N
XLogP2.87
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol?
The IUPAC name of 2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol (CID 82975221) is 2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol.
What is the SMILES notation for 2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol?
The canonical SMILES for 2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol is CCC(c1ccccc1O)N(C)C1CCN(C)CC1.
What is the InChIKey of 2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol?
The InChIKey is OMOCJKKTVZKCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-15(14-7-5-6-8-16(14)19)18(3)13-9-11-17(2)12-10-13/h5-8,13,15,19H,4,9-12H2,1-3H3.
What are the key properties of 2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol?
2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol is sourced from PubChem (CID 82975221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).