2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol

C14H21NO2 — CID 79603318

IUPAC2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol
SMILESCC1CCN(c2ccc(C(C)O)c(O)c2)CC1
InChIInChI=1S/C14H21NO2/c1-10-5-7-15(8-6-10)12-3-4-13(11(2)16)14(17)9-12/h3-4,9-11,16-17H,5-8H2,1-2H3
InChIKeyGXQJZRKESTXVBD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.68
Rot. Bonds2

About 2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol

2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol (PubChem CID 79603318) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol
PubChem CID79603318
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol
SMILESCC1CCN(c2ccc(C(C)O)c(O)c2)CC1
InChIInChI=1S/C14H21NO2/c1-10-5-7-15(8-6-10)12-3-4-13(11(2)16)14(17)9-12/h3-4,9-11,16-17H,5-8H2,1-2H3
InChIKeyGXQJZRKESTXVBD-UHFFFAOYSA-N
XLogP2.68
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.68
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 2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol?
The IUPAC name of 2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol (CID 79603318) is 2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol.
What is the SMILES notation for 2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol?
The canonical SMILES for 2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol is CC1CCN(c2ccc(C(C)O)c(O)c2)CC1.
What is the InChIKey of 2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol?
The InChIKey is GXQJZRKESTXVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-5-7-15(8-6-10)12-3-4-13(11(2)16)14(17)9-12/h3-4,9-11,16-17H,5-8H2,1-2H3.
What are the key properties of 2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol?
2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol has a molecular weight of 235.33 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol is sourced from PubChem (CID 79603318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).