2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol

C15H24N2O — CID 43519577

IUPAC2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol
SMILESNc1ccc(CCN2CCCCC2CCO)cc1
InChIInChI=1S/C15H24N2O/c16-14-6-4-13(5-7-14)8-11-17-10-2-1-3-15(17)9-12-18/h4-7,15,18H,1-3,8-12,16H2
InChIKeyIBUZVFLJILRXQX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.05
Rot. Bonds5

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

2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol (PubChem CID 43519577) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol
PubChem CID43519577
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol
SMILESNc1ccc(CCN2CCCCC2CCO)cc1
InChIInChI=1S/C15H24N2O/c16-14-6-4-13(5-7-14)8-11-17-10-2-1-3-15(17)9-12-18/h4-7,15,18H,1-3,8-12,16H2
InChIKeyIBUZVFLJILRXQX-UHFFFAOYSA-N
XLogP2.05
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-[2-(4-aminophenyl)ethyl]azepan-2-yl]methanol
CID 116634212
4-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104688951
4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline
CID 60974787
1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 82256579
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methanol
CID 60649309
2-(2-chloroethyl)-1-(2-phenylethyl)piperidine
CID 63387052
3-[2-(3-phenylpropyl)piperidin-1-yl]propan-1-ol
CID 21153822
[1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol
CID 116637315
2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345630
6-[2-(2-hydroxyethyl)piperidin-1-yl]hexan-1-ol
CID 103737919
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol (CID 43519577) is 2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol is Nc1ccc(CCN2CCCCC2CCO)cc1.
What is the InChIKey of 2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol?
The InChIKey is IBUZVFLJILRXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-14-6-4-13(5-7-14)8-11-17-10-2-1-3-15(17)9-12-18/h4-7,15,18H,1-3,8-12,16H2.
What are the key properties of 2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol?
2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 43519577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).