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

C14H22N2O — CID 62264397

IUPAC1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol
SMILESCC1CCCN(CC(O)c2cccc(N)c2)C1
InChIInChI=1S/C14H22N2O/c1-11-4-3-7-16(9-11)10-14(17)12-5-2-6-13(15)8-12/h2,5-6,8,11,14,17H,3-4,7,9-10,15H2,1H3
InChIKeyVKEOMUFSVPCZHE-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.03
Rot. Bonds3

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

1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol (PubChem CID 62264397) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol
PubChem CID62264397
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol
SMILESCC1CCCN(CC(O)c2cccc(N)c2)C1
InChIInChI=1S/C14H22N2O/c1-11-4-3-7-16(9-11)10-14(17)12-5-2-6-13(15)8-12/h2,5-6,8,11,14,17H,3-4,7,9-10,15H2,1H3
InChIKeyVKEOMUFSVPCZHE-UHFFFAOYSA-N
XLogP2.03
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.03
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-ethylpiperidin-1-yl)ethanol
CID 62265432
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-aminophenyl)ethanol
CID 79940161
1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217074
1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82216087
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-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
2-(3-methylpiperidin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82215815
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 95054921
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-aminophenyl)ethanol
CID 102725506
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
1-(3-aminophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 79940896

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol (CID 62264397) is 1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol is CC1CCCN(CC(O)c2cccc(N)c2)C1.
What is the InChIKey of 1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol?
The InChIKey is VKEOMUFSVPCZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-4-3-7-16(9-11)10-14(17)12-5-2-6-13(15)8-12/h2,5-6,8,11,14,17H,3-4,7,9-10,15H2,1H3.
What are the key properties of 1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol?
1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol has a molecular weight of 234.34 g/mol, XLogP of 2.03, 3 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-methylpiperidin-1-yl)ethanol is sourced from PubChem (CID 62264397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).