1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol

C15H24N2O2 — CID 106586078

IUPAC1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol
SMILESCOCC1CCCN(CC(O)c2ccc(N)cc2)C1
InChIInChI=1S/C15H24N2O2/c1-19-11-12-3-2-8-17(9-12)10-15(18)13-4-6-14(16)7-5-13/h4-7,12,15,18H,2-3,8-11,16H2,1H3
InChIKeyBEHCJYKXIJZWQL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.66
Rot. Bonds5

About 1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol

1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol (PubChem CID 106586078) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol
PubChem CID106586078
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol
SMILESCOCC1CCCN(CC(O)c2ccc(N)cc2)C1
InChIInChI=1S/C15H24N2O2/c1-19-11-12-3-2-8-17(9-12)10-15(18)13-4-6-14(16)7-5-13/h4-7,12,15,18H,2-3,8-11,16H2,1H3
InChIKeyBEHCJYKXIJZWQL-UHFFFAOYSA-N
XLogP1.66
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 106589114
4-[1-hydroxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]benzonitrile
CID 64599116
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
CID 106586509
1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol
CID 62265432
1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol
CID 111476808
1-(4-chlorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 111118369
1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63171581
1-cyclopentyl-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103274721
4-[1-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzonitrile
CID 43590204
N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide
CID 106585961
2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol (CID 106586078) is 1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol is COCC1CCCN(CC(O)c2ccc(N)cc2)C1.
What is the InChIKey of 1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol?
The InChIKey is BEHCJYKXIJZWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-19-11-12-3-2-8-17(9-12)10-15(18)13-4-6-14(16)7-5-13/h4-7,12,15,18H,2-3,8-11,16H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol?
1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 106586078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).