5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol

C15H24N2O2 — CID 79600236

IUPAC5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
SMILESCNC(C)c1ccc(N2CCC(CO)CC2)cc1O
InChIInChI=1S/C15H24N2O2/c1-11(16-2)14-4-3-13(9-15(14)19)17-7-5-12(10-18)6-8-17/h3-4,9,11-12,16,18-19H,5-8,10H2,1-2H3
InChIKeyBUGBBFPHKXMWGG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.88
Rot. Bonds4

About 5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol

5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol (PubChem CID 79600236) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
PubChem CID79600236
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
SMILESCNC(C)c1ccc(N2CCC(CO)CC2)cc1O
InChIInChI=1S/C15H24N2O2/c1-11(16-2)14-4-3-13(9-15(14)19)17-7-5-12(10-18)6-8-17/h3-4,9,11-12,16,18-19H,5-8,10H2,1-2H3
InChIKeyBUGBBFPHKXMWGG-UHFFFAOYSA-N
XLogP1.88
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 106836255
5-(4-ethylazepan-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79604082
2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol
CID 103496849
2-[1-(methylamino)ethyl]-5-(4-propylazepan-1-yl)phenol
CID 79591465
5-[4-(dimethylamino)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600608
5-(4,4-diethylpiperidin-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79591200
5-(3-ethyl-4-methylpiperazin-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79603649
[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 43284506
2-[1-(methylamino)ethyl]-5-(1,4-thiazepan-4-yl)phenol
CID 79603969
(1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 114069650
[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 82972414
2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol
CID 79603248

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol?
The IUPAC name of 5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol (CID 79600236) is 5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol.
What is the SMILES notation for 5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol?
The canonical SMILES for 5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol is CNC(C)c1ccc(N2CCC(CO)CC2)cc1O.
What is the InChIKey of 5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol?
The InChIKey is BUGBBFPHKXMWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(16-2)14-4-3-13(9-15(14)19)17-7-5-12(10-18)6-8-17/h3-4,9,11-12,16,18-19H,5-8,10H2,1-2H3.
What are the key properties of 5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol?
5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol has a molecular weight of 264.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol is sourced from PubChem (CID 79600236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).