2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol

C15H24N2O — CID 79603740

IUPAC2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol
SMILESCC1CCC(C)N(c2ccc(C(C)N)c(O)c2)C1
InChIInChI=1S/C15H24N2O/c1-10-4-5-11(2)17(9-10)13-6-7-14(12(3)16)15(18)8-13/h6-8,10-12,18H,4-5,9,16H2,1-3H3
InChIKeyJLCFUEIKXDQWJS-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.04
Rot. Bonds2

About 2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol

2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol (PubChem CID 79603740) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol
PubChem CID79603740
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol
SMILESCC1CCC(C)N(c2ccc(C(C)N)c(O)c2)C1
InChIInChI=1S/C15H24N2O/c1-10-4-5-11(2)17(9-10)13-6-7-14(12(3)16)15(18)8-13/h6-8,10-12,18H,4-5,9,16H2,1-3H3
InChIKeyJLCFUEIKXDQWJS-UHFFFAOYSA-N
XLogP3.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
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-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol?
The IUPAC name of 2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol (CID 79603740) is 2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol.
What is the SMILES notation for 2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol?
The canonical SMILES for 2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol is CC1CCC(C)N(c2ccc(C(C)N)c(O)c2)C1.
What is the InChIKey of 2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol?
The InChIKey is JLCFUEIKXDQWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-4-5-11(2)17(9-10)13-6-7-14(12(3)16)15(18)8-13/h6-8,10-12,18H,4-5,9,16H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol?
2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol has a molecular weight of 248.37 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol is sourced from PubChem (CID 79603740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).