1-(3-aminophenyl)-1-piperidin-4-ylethanol

C13H20N2O — CID 115032215

IUPAC1-(3-aminophenyl)-1-piperidin-4-ylethanol
SMILESCC(O)(c1cccc(N)c1)C1CCNCC1
InChIInChI=1S/C13H20N2O/c1-13(16,10-5-7-15-8-6-10)11-3-2-4-12(14)9-11/h2-4,9-10,15-16H,5-8,14H2,1H3
InChIKeyWPPLNQYGKPOKEA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.48
Rot. Bonds2

About 1-(3-aminophenyl)-1-piperidin-4-ylethanol

1-(3-aminophenyl)-1-piperidin-4-ylethanol (PubChem CID 115032215) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(3-aminophenyl)-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-1-piperidin-4-ylethanol
PubChem CID115032215
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(3-aminophenyl)-1-piperidin-4-ylethanol
SMILESCC(O)(c1cccc(N)c1)C1CCNCC1
InChIInChI=1S/C13H20N2O/c1-13(16,10-5-7-15-8-6-10)11-3-2-4-12(14)9-11/h2-4,9-10,15-16H,5-8,14H2,1H3
InChIKeyWPPLNQYGKPOKEA-UHFFFAOYSA-N
XLogP1.48
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-1-piperidin-4-ylethanol
CID 54545036
1-(3,4-dimethylphenyl)-1-piperidin-4-ylethanol
CID 82290252
1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol
CID 115025222
1-(3-tert-butylphenyl)-1-cyclopropylethanol
CID 91657928
3-(1-hydroxy-1-pyrrolidin-3-ylethyl)benzoic acid
CID 115040778
(1S)-1-cyclopropyl-1-(3-methylphenyl)ethanol
CID 93311992
1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol
CID 82290402
3-(1-cyclopentyl-1-fluoroethyl)aniline
CID 115025375
1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol
CID 115018710
3-tert-butylaniline;hydrobromide
CID 155928054
2-(3-aminophenyl)-4-methylpentan-2-ol
CID 89270411
3-[cyclopropyl(difluoro)methyl]aniline
CID 83855657

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-1-piperidin-4-ylethanol?
The IUPAC name of 1-(3-aminophenyl)-1-piperidin-4-ylethanol (CID 115032215) is 1-(3-aminophenyl)-1-piperidin-4-ylethanol.
What is the SMILES notation for 1-(3-aminophenyl)-1-piperidin-4-ylethanol?
The canonical SMILES for 1-(3-aminophenyl)-1-piperidin-4-ylethanol is CC(O)(c1cccc(N)c1)C1CCNCC1.
What is the InChIKey of 1-(3-aminophenyl)-1-piperidin-4-ylethanol?
The InChIKey is WPPLNQYGKPOKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(16,10-5-7-15-8-6-10)11-3-2-4-12(14)9-11/h2-4,9-10,15-16H,5-8,14H2,1H3.
What are the key properties of 1-(3-aminophenyl)-1-piperidin-4-ylethanol?
1-(3-aminophenyl)-1-piperidin-4-ylethanol has a molecular weight of 220.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-1-piperidin-4-ylethanol is sourced from PubChem (CID 115032215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).