N-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine

C21H28N2O2 — CID 783866

IUPACN-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine
SMILESCOc1ccc(NC2CCN(CCc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C21H28N2O2/c1-24-19-8-9-20(21(16-19)25-2)22-18-11-14-23(15-12-18)13-10-17-6-4-3-5-7-17/h3-9,16,18,22H,10-15H2,1-2H3
InChIKeyFRBOSQJLOCHVIY-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.82
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine

N-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine (PubChem CID 783866) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine
PubChem CID783866
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine
SMILESCOc1ccc(NC2CCN(CCc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C21H28N2O2/c1-24-19-8-9-20(21(16-19)25-2)22-18-11-14-23(15-12-18)13-10-17-6-4-3-5-7-17/h3-9,16,18,22H,10-15H2,1-2H3
InChIKeyFRBOSQJLOCHVIY-UHFFFAOYSA-N
XLogP3.82
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine (CID 783866) is N-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine is COc1ccc(NC2CCN(CCc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is FRBOSQJLOCHVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-24-19-8-9-20(21(16-19)25-2)22-18-11-14-23(15-12-18)13-10-17-6-4-3-5-7-17/h3-9,16,18,22H,10-15H2,1-2H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine?
N-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 340.47 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 783866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).