1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine

C14H22N2O — CID 54975421

IUPAC1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(OC)cc2)C(C)C1
InChIInChI=1S/C14H22N2O/c1-11-10-12(15-2)8-9-16(11)13-4-6-14(17-3)7-5-13/h4-7,11-12,15H,8-10H2,1-3H3
InChIKeyXRTSPUFUFMXTKW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.27
Rot. Bonds3

About 1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine

1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine (PubChem CID 54975421) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine
PubChem CID54975421
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(OC)cc2)C(C)C1
InChIInChI=1S/C14H22N2O/c1-11-10-12(15-2)8-9-16(11)13-4-6-14(17-3)7-5-13/h4-7,11-12,15H,8-10H2,1-3H3
InChIKeyXRTSPUFUFMXTKW-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 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 ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine (CID 54975421) is 1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine is CNC1CCN(c2ccc(OC)cc2)C(C)C1.
What is the InChIKey of 1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine?
The InChIKey is XRTSPUFUFMXTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-10-12(15-2)8-9-16(11)13-4-6-14(17-3)7-5-13/h4-7,11-12,15H,8-10H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine?
1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine has a molecular weight of 234.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 54975421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).