1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol

C15H24N2O — CID 62265432

IUPAC1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol
SMILESCCC1CCCN(CC(O)c2cccc(N)c2)C1
InChIInChI=1S/C15H24N2O/c1-2-12-5-4-8-17(10-12)11-15(18)13-6-3-7-14(16)9-13/h3,6-7,9,12,15,18H,2,4-5,8,10-11,16H2,1H3
InChIKeyKOABFECMPGPBDX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.42
Rot. Bonds4

About 1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol

1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol (PubChem CID 62265432) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol
PubChem CID62265432
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol
SMILESCCC1CCCN(CC(O)c2cccc(N)c2)C1
InChIInChI=1S/C15H24N2O/c1-2-12-5-4-8-17(10-12)11-15(18)13-6-3-7-14(16)9-13/h3,6-7,9,12,15,18H,2,4-5,8,10-11,16H2,1H3
InChIKeyKOABFECMPGPBDX-UHFFFAOYSA-N
XLogP2.42
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.42
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

1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 62264397
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-aminophenyl)ethanol
CID 79940161
2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 115688624
1-(3-aminophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanol
CID 81199297
2-(3-ethylpyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115688548
1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol
CID 106586078
N-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584123
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-aminophenyl)ethanol
CID 102725506
1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol
CID 103530992
2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 112698266
1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 62264924
4-[2-(3-aminophenyl)-2-hydroxyethyl]-1-methyl-1,4-diazepan-2-one
CID 102888462

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol (CID 62265432) is 1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol is CCC1CCCN(CC(O)c2cccc(N)c2)C1.
What is the InChIKey of 1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol?
The InChIKey is KOABFECMPGPBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-12-5-4-8-17(10-12)11-15(18)13-6-3-7-14(16)9-13/h3,6-7,9,12,15,18H,2,4-5,8,10-11,16H2,1H3.
What are the key properties of 1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol?
1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol has a molecular weight of 248.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol is sourced from PubChem (CID 62265432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).