1-(4-ethoxy-3-methylphenyl)piperidin-4-amine

C14H22N2O — CID 63214437

IUPAC1-(4-ethoxy-3-methylphenyl)piperidin-4-amine
SMILESCCOc1ccc(N2CCC(N)CC2)cc1C
InChIInChI=1S/C14H22N2O/c1-3-17-14-5-4-13(10-11(14)2)16-8-6-12(15)7-9-16/h4-5,10,12H,3,6-9,15H2,1-2H3
InChIKeyOEOIAXNIHLMLTJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.32
Rot. Bonds3

About 1-(4-ethoxy-3-methylphenyl)piperidin-4-amine

1-(4-ethoxy-3-methylphenyl)piperidin-4-amine (PubChem CID 63214437) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)piperidin-4-amine
PubChem CID63214437
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(4-ethoxy-3-methylphenyl)piperidin-4-amine
SMILESCCOc1ccc(N2CCC(N)CC2)cc1C
InChIInChI=1S/C14H22N2O/c1-3-17-14-5-4-13(10-11(14)2)16-8-6-12(15)7-9-16/h4-5,10,12H,3,6-9,15H2,1-2H3
InChIKeyOEOIAXNIHLMLTJ-UHFFFAOYSA-N
XLogP2.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine
CID 114526509
1-(2-ethoxy-5-methylphenyl)piperidin-4-amine
CID 55063114
1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine
CID 63214524
1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine
CID 65461452
1-(3-ethoxy-4-methylphenyl)piperidin-4-ol
CID 144712555
1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane
CID 145194619
1-(4-ethoxy-3-methylphenyl)-1,4-diazepane
CID 63214343
1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine
CID 65180462
1-[4-(cyclobutylmethoxy)-3-methylphenyl]-1,4-diazepane
CID 65461450
[1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol
CID 126696055
4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 115149765
1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-amine
CID 28802683

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)piperidin-4-amine?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)piperidin-4-amine (CID 63214437) is 1-(4-ethoxy-3-methylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)piperidin-4-amine?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)piperidin-4-amine is CCOc1ccc(N2CCC(N)CC2)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)piperidin-4-amine?
The InChIKey is OEOIAXNIHLMLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-17-14-5-4-13(10-11(14)2)16-8-6-12(15)7-9-16/h4-5,10,12H,3,6-9,15H2,1-2H3.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)piperidin-4-amine?
1-(4-ethoxy-3-methylphenyl)piperidin-4-amine has a molecular weight of 234.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 63214437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).