2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol

C15H24N2O — CID 83006350

IUPAC2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol
SMILESCC(NN1C(C)CCCC1C)c1ccccc1O
InChIInChI=1S/C15H24N2O/c1-11-7-6-8-12(2)17(11)16-13(3)14-9-4-5-10-15(14)18/h4-5,9-13,16,18H,6-8H2,1-3H3
InChIKeyCJSZIBNIBMFPAL-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.22
Rot. Bonds3

About 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol

2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol (PubChem CID 83006350) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol
PubChem CID83006350
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol
SMILESCC(NN1C(C)CCCC1C)c1ccccc1O
InChIInChI=1S/C15H24N2O/c1-11-7-6-8-12(2)17(11)16-13(3)14-9-4-5-10-15(14)18/h4-5,9-13,16,18H,6-8H2,1-3H3
InChIKeyCJSZIBNIBMFPAL-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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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Related Compounds

2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol
CID 83007109
2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol
CID 104969310
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83009856
2,6-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]piperidin-1-amine
CID 83009316
N-[1-(4-ethoxyphenyl)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83007714
2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid
CID 103261095
2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol
CID 64908843
2-[1-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]amino]ethenyl]phenol
CID 2392717
2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidin-1-amine
CID 83007687
1-(2-chlorophenyl)-2-[(2,6-dimethylpiperidin-1-yl)amino]ethanol
CID 83013771
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol
CID 113383805

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol?
The IUPAC name of 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol (CID 83006350) is 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol?
The canonical SMILES for 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol is CC(NN1C(C)CCCC1C)c1ccccc1O.
What is the InChIKey of 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol?
The InChIKey is CJSZIBNIBMFPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-7-6-8-12(2)17(11)16-13(3)14-9-4-5-10-15(14)18/h4-5,9-13,16,18H,6-8H2,1-3H3.
What are the key properties of 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol?
2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]phenol is sourced from PubChem (CID 83006350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).