2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine

C16H28N4O — CID 80631242

IUPAC2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCCN1CCN(c2ccc(CNCCOC)cn2)CC1
InChIInChI=1S/C16H28N4O/c1-3-7-19-8-10-20(11-9-19)16-5-4-15(14-18-16)13-17-6-12-21-2/h4-5,14,17H,3,6-13H2,1-2H3
InChIKeyMGLGKXSSVPUXGW-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.35
Rot. Bonds8

About 2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine

2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 80631242) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID80631242
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCCN1CCN(c2ccc(CNCCOC)cn2)CC1
InChIInChI=1S/C16H28N4O/c1-3-7-19-8-10-20(11-9-19)16-5-4-15(14-18-16)13-17-6-12-21-2/h4-5,14,17H,3,6-13H2,1-2H3
InChIKeyMGLGKXSSVPUXGW-UHFFFAOYSA-N
XLogP1.35
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 80631144
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
N-[[6-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636085
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55054608
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670459
2-[4-[5-(propylaminomethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 107223707
N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80637880
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 80631598
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 115560699
N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 62286973
2-methoxy-N-[[6-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
CID 80636499
2-methoxy-N-[[6-(2-methylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80635743

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 80631242) is 2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine is CCCN1CCN(c2ccc(CNCCOC)cn2)CC1.
What is the InChIKey of 2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is MGLGKXSSVPUXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-7-19-8-10-20(11-9-19)16-5-4-15(14-18-16)13-17-6-12-21-2/h4-5,14,17H,3,6-13H2,1-2H3.
What are the key properties of 2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine?
2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 292.43 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 80631242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).