1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine

C14H22N2O — CID 117238723

IUPAC1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine
SMILESCN1CCC(C(N)COc2ccccc2)CC1
InChIInChI=1S/C14H22N2O/c1-16-9-7-12(8-10-16)14(15)11-17-13-5-3-2-4-6-13/h2-6,12,14H,7-11,15H2,1H3
InChIKeyIAFZBPGRZYVWOJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.73
Rot. Bonds4

About 1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine

1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine (PubChem CID 117238723) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine
PubChem CID117238723
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine
SMILESCN1CCC(C(N)COc2ccccc2)CC1
InChIInChI=1S/C14H22N2O/c1-16-9-7-12(8-10-16)14(15)11-17-13-5-3-2-4-6-13/h2-6,12,14H,7-11,15H2,1H3
InChIKeyIAFZBPGRZYVWOJ-UHFFFAOYSA-N
XLogP1.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238902
2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 117237457
1-(1-ethylpiperidin-4-yl)-2-(4-methoxyphenoxy)ethanamine
CID 117238940
2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237295
3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine
CID 117239407
1-(1-ethylpiperidin-4-yl)-2-(4-fluorophenoxy)ethanamine
CID 117238931
2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 117238932
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502
3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 117239247
2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
CID 63914876
4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238923

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine (CID 117238723) is 1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine is CN1CCC(C(N)COc2ccccc2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine?
The InChIKey is IAFZBPGRZYVWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-9-7-12(8-10-16)14(15)11-17-13-5-3-2-4-6-13/h2-6,12,14H,7-11,15H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine?
1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine is sourced from PubChem (CID 117238723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).