N-methyl-2-(4-phenoxypiperidin-1-yl)ethanamine

C14H22N2O — CID 134130626

IUPACN-methyl-2-(4-phenoxypiperidin-1-yl)ethanamine
SMILESCNCCN1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C14H22N2O/c1-15-9-12-16-10-7-14(8-11-16)17-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyZYQFUTZIWVTGCH-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.75
Rot. Bonds5

About N-methyl-2-(4-phenoxypiperidin-1-yl)ethanamine

N-methyl-2-(4-phenoxypiperidin-1-yl)ethanamine (PubChem CID 134130626) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-methyl-2-(4-phenoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-phenoxypiperidin-1-yl)ethanamine
PubChem CID134130626
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-methyl-2-(4-phenoxypiperidin-1-yl)ethanamine
SMILESCNCCN1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C14H22N2O/c1-15-9-12-16-10-7-14(8-11-16)17-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyZYQFUTZIWVTGCH-UHFFFAOYSA-N
XLogP1.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-phenoxypiperidin-1-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-phenoxypiperidin-1-yl)ethanamine (CID 134130626) is N-methyl-2-(4-phenoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-phenoxypiperidin-1-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-phenoxypiperidin-1-yl)ethanamine is CNCCN1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N-methyl-2-(4-phenoxypiperidin-1-yl)ethanamine?
The InChIKey is ZYQFUTZIWVTGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-9-12-16-10-7-14(8-11-16)17-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3.
What are the key properties of N-methyl-2-(4-phenoxypiperidin-1-yl)ethanamine?
N-methyl-2-(4-phenoxypiperidin-1-yl)ethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-phenoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 134130626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).