N-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine

C17H29N3O — CID 63636043

IUPACN-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCCN1CCN(c2ccc(CNCCOC)cc2)CC1C
InChIInChI=1S/C17H29N3O/c1-4-19-10-11-20(14-15(19)2)17-7-5-16(6-8-17)13-18-9-12-21-3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyQYMZPTBCJGSXQK-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.95
Rot. Bonds7

About N-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine

N-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine (PubChem CID 63636043) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine
PubChem CID63636043
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCCN1CCN(c2ccc(CNCCOC)cc2)CC1C
InChIInChI=1S/C17H29N3O/c1-4-19-10-11-20(14-15(19)2)17-7-5-16(6-8-17)13-18-9-12-21-3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyQYMZPTBCJGSXQK-UHFFFAOYSA-N
XLogP1.95
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine (CID 63636043) is N-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine is CCN1CCN(c2ccc(CNCCOC)cc2)CC1C.
What is the InChIKey of N-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is QYMZPTBCJGSXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-19-10-11-20(14-15(19)2)17-7-5-16(6-8-17)13-18-9-12-21-3/h5-8,15,18H,4,9-14H2,1-3H3.
What are the key properties of N-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine?
N-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 291.44 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63636043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).