2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine

C17H29N3O — CID 63605596

IUPAC2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
SMILESCCN1CCN(C(CN)c2ccc(OC)c(C)c2)CC1C
InChIInChI=1S/C17H29N3O/c1-5-19-8-9-20(12-14(19)3)16(11-18)15-6-7-17(21-4)13(2)10-15/h6-7,10,14,16H,5,8-9,11-12,18H2,1-4H3
InChIKeyDQDPPDOYKZGXFK-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.03
Rot. Bonds5

About 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine

2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine (PubChem CID 63605596) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
PubChem CID63605596
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
SMILESCCN1CCN(C(CN)c2ccc(OC)c(C)c2)CC1C
InChIInChI=1S/C17H29N3O/c1-5-19-8-9-20(12-14(19)3)16(11-18)15-6-7-17(21-4)13(2)10-15/h6-7,10,14,16H,5,8-9,11-12,18H2,1-4H3
InChIKeyDQDPPDOYKZGXFK-UHFFFAOYSA-N
XLogP2.03
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine?
The IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine (CID 63605596) is 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine is CCN1CCN(C(CN)c2ccc(OC)c(C)c2)CC1C.
What is the InChIKey of 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine?
The InChIKey is DQDPPDOYKZGXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-19-8-9-20(12-14(19)3)16(11-18)15-6-7-17(21-4)13(2)10-15/h6-7,10,14,16H,5,8-9,11-12,18H2,1-4H3.
What are the key properties of 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine?
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine is sourced from PubChem (CID 63605596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).