1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol

C13H20N2O2 — CID 62265241

IUPAC1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol
SMILESNc1ccccc1C(O)CN1CCC(O)CC1
InChIInChI=1S/C13H20N2O2/c14-12-4-2-1-3-11(12)13(17)9-15-7-5-10(16)6-8-15/h1-4,10,13,16-17H,5-9,14H2
InChIKeyOKCUMAXVGGDOIF-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.76
Rot. Bonds3

About 1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol

1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol (PubChem CID 62265241) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol
PubChem CID62265241
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol
SMILESNc1ccccc1C(O)CN1CCC(O)CC1
InChIInChI=1S/C13H20N2O2/c14-12-4-2-1-3-11(12)13(17)9-15-7-5-10(16)6-8-15/h1-4,10,13,16-17H,5-9,14H2
InChIKeyOKCUMAXVGGDOIF-UHFFFAOYSA-N
XLogP0.76
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol
CID 102956090
1-(2-aminophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 62265781
1-(2-aminophenyl)-2-(4-ethoxypiperidin-1-yl)ethanol
CID 62264585
1-[4-[2-(2-aminophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]ethanone
CID 62266489
1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
CID 62986854
1-(2-aminophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanol
CID 62265085
7-[2-(2-aminophenyl)-2-hydroxyethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092169
4-[2-(2-aminophenyl)-2-hydroxyethyl]-1,4-diazepan-2-one
CID 65360931
1-[2-(2-aminophenyl)ethyl]piperidin-4-ol
CID 62495896
1-(2-aminophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol
CID 62266500
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol (CID 62265241) is 1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol is Nc1ccccc1C(O)CN1CCC(O)CC1.
What is the InChIKey of 1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol?
The InChIKey is OKCUMAXVGGDOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-12-4-2-1-3-11(12)13(17)9-15-7-5-10(16)6-8-15/h1-4,10,13,16-17H,5-9,14H2.
What are the key properties of 1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol?
1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol has a molecular weight of 236.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol is sourced from PubChem (CID 62265241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).