N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine

C21H36N2O — CID 156817368

IUPACN-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCN(CCNCc2ccc(OCC(C)C)cc2)CC1
InChIInChI=1S/C21H36N2O/c1-4-5-19-10-13-23(14-11-19)15-12-22-16-20-6-8-21(9-7-20)24-17-18(2)3/h6-9,18-19,22H,4-5,10-17H2,1-3H3
InChIKeyAZVOWMPNGIZADR-UHFFFAOYSA-N
MW332.53 g/mol
LogP4.32
Rot. Bonds10

About N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine

N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine (PubChem CID 156817368) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine
PubChem CID156817368
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC NameN-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCN(CCNCc2ccc(OCC(C)C)cc2)CC1
InChIInChI=1S/C21H36N2O/c1-4-5-19-10-13-23(14-11-19)15-12-22-16-20-6-8-21(9-7-20)24-17-18(2)3/h6-9,18-19,22H,4-5,10-17H2,1-3H3
InChIKeyAZVOWMPNGIZADR-UHFFFAOYSA-N
XLogP4.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine?
The IUPAC name of N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine (CID 156817368) is N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine is CCCC1CCN(CCNCc2ccc(OCC(C)C)cc2)CC1.
What is the InChIKey of N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine?
The InChIKey is AZVOWMPNGIZADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-4-5-19-10-13-23(14-11-19)15-12-22-16-20-6-8-21(9-7-20)24-17-18(2)3/h6-9,18-19,22H,4-5,10-17H2,1-3H3.
What are the key properties of N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine?
N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine has a molecular weight of 332.53 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(4-propylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 156817368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).