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

C13H20N2O — CID 62495896

IUPAC1-[2-(2-aminophenyl)ethyl]piperidin-4-ol
SMILESNc1ccccc1CCN1CCC(O)CC1
InChIInChI=1S/C13H20N2O/c14-13-4-2-1-3-11(13)5-8-15-9-6-12(16)7-10-15/h1-4,12,16H,5-10,14H2
InChIKeyGKBIEXCSHJXARZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.27
Rot. Bonds3

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

1-[2-(2-aminophenyl)ethyl]piperidin-4-ol (PubChem CID 62495896) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[2-(2-aminophenyl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(2-aminophenyl)ethyl]piperidin-4-ol
PubChem CID62495896
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[2-(2-aminophenyl)ethyl]piperidin-4-ol
SMILESNc1ccccc1CCN1CCC(O)CC1
InChIInChI=1S/C13H20N2O/c14-13-4-2-1-3-11(13)5-8-15-9-6-12(16)7-10-15/h1-4,12,16H,5-10,14H2
InChIKeyGKBIEXCSHJXARZ-UHFFFAOYSA-N
XLogP1.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(azocan-1-yl)ethyl]aniline
CID 62495227
2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
CID 62497247
2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
CID 64570830
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline
CID 13217691
2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline
CID 107274331
2-(3-piperidin-1-ylpropyl)aniline
CID 28721004
N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 16793627
1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 62265241
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol
CID 114677986
2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]aniline
CID 62495237
2-(3-piperazin-1-ylpropyl)aniline
CID 82161391

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminophenyl)ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(2-aminophenyl)ethyl]piperidin-4-ol (CID 62495896) is 1-[2-(2-aminophenyl)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(2-aminophenyl)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(2-aminophenyl)ethyl]piperidin-4-ol is Nc1ccccc1CCN1CCC(O)CC1.
What is the InChIKey of 1-[2-(2-aminophenyl)ethyl]piperidin-4-ol?
The InChIKey is GKBIEXCSHJXARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-13-4-2-1-3-11(13)5-8-15-9-6-12(16)7-10-15/h1-4,12,16H,5-10,14H2.
What are the key properties of 1-[2-(2-aminophenyl)ethyl]piperidin-4-ol?
1-[2-(2-aminophenyl)ethyl]piperidin-4-ol has a molecular weight of 220.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminophenyl)ethyl]piperidin-4-ol is sourced from PubChem (CID 62495896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).