N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine

C17H28N2O — CID 115653390

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCOCc1ccc(CNCCC2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-19-11-8-15(9-12-19)7-10-18-13-16-3-5-17(6-4-16)14-20-2/h3-6,15,18H,7-14H2,1-2H3
InChIKeyKWTFHCUJQNSRNL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.65
Rot. Bonds7

About N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine

N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 115653390) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
PubChem CID115653390
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCOCc1ccc(CNCCC2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-19-11-8-15(9-12-19)7-10-18-13-16-3-5-17(6-4-16)14-20-2/h3-6,15,18H,7-14H2,1-2H3
InChIKeyKWTFHCUJQNSRNL-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine (CID 115653390) is N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine is COCc1ccc(CNCCC2CCN(C)CC2)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is KWTFHCUJQNSRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19-11-8-15(9-12-19)7-10-18-13-16-3-5-17(6-4-16)14-20-2/h3-6,15,18H,7-14H2,1-2H3.
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 115653390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).