2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine

C15H24N2O — CID 117238902

IUPAC2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCc1ccc(OCC(N)C2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-12-3-5-14(6-4-12)18-11-15(16)13-7-9-17(2)10-8-13/h3-6,13,15H,7-11,16H2,1-2H3
InChIKeyPDCOKICQKKFAJY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.04
Rot. Bonds4

About 2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine

2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 117238902) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine
PubChem CID117238902
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCc1ccc(OCC(N)C2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-12-3-5-14(6-4-12)18-11-15(16)13-7-9-17(2)10-8-13/h3-6,13,15H,7-11,16H2,1-2H3
InChIKeyPDCOKICQKKFAJY-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine
CID 117238723
2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 117237457
1-(1-ethylpiperidin-4-yl)-2-(4-methoxyphenoxy)ethanamine
CID 117238940
1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 61168104
3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine
CID 117239407
2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 117238932
1-(1-ethylpiperidin-4-yl)-2-(4-fluorophenoxy)ethanamine
CID 117238931
2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine
CID 117239412
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
CID 63914876
4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238923
1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 132649936

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine (CID 117238902) is 2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine is Cc1ccc(OCC(N)C2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is PDCOKICQKKFAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-3-5-14(6-4-12)18-11-15(16)13-7-9-17(2)10-8-13/h3-6,13,15H,7-11,16H2,1-2H3.
What are the key properties of 2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine?
2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 117238902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).