1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol

C14H22N2O2 — CID 102956090

IUPAC1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(CC(O)c2ccccc2N)CC1O
InChIInChI=1S/C14H22N2O2/c1-10-6-7-16(8-13(10)17)9-14(18)11-4-2-3-5-12(11)15/h2-5,10,13-14,17-18H,6-9,15H2,1H3
InChIKeyAANWGRADQRANKM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.00
Rot. Bonds3

About 1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol

1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol (PubChem CID 102956090) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol
PubChem CID102956090
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(CC(O)c2ccccc2N)CC1O
InChIInChI=1S/C14H22N2O2/c1-10-6-7-16(8-13(10)17)9-14(18)11-4-2-3-5-12(11)15/h2-5,10,13-14,17-18H,6-9,15H2,1H3
InChIKeyAANWGRADQRANKM-UHFFFAOYSA-N
XLogP1.00
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.00
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]piperidin-4-ol
CID 62265241
1-(2-aminophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 62265781
1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
CID 62986854
1-(2-aminophenyl)-2-(4-ethoxypiperidin-1-yl)ethanol
CID 62264585
1-(2-aminophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol
CID 62266500
7-[2-(2-aminophenyl)-2-hydroxyethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092169
N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide
CID 102958325
1-[4-[2-(2-aminophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]ethanone
CID 62266489
1-(2-aminophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanol
CID 62265085
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol
CID 55159139
4-[2-(2-aminophenyl)-2-hydroxyethyl]-1,4-diazepan-2-one
CID 65360931
1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol
CID 114677986

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol (CID 102956090) is 1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol is CC1CCN(CC(O)c2ccccc2N)CC1O.
What is the InChIKey of 1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol?
The InChIKey is AANWGRADQRANKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-6-7-16(8-13(10)17)9-14(18)11-4-2-3-5-12(11)15/h2-5,10,13-14,17-18H,6-9,15H2,1H3.
What are the key properties of 1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol?
1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol has a molecular weight of 250.34 g/mol, XLogP of 1.00, 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]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102956090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).