1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine

C20H28N4O — CID 75382614

IUPAC1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCOc1ccccc1C(C)NCc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C20H28N4O/c1-16(18-6-4-5-7-19(18)25-3)21-14-17-8-9-20(22-15-17)24-12-10-23(2)11-13-24/h4-9,15-16,21H,10-14H2,1-3H3
InChIKeyCDYGVAOXOCDQHD-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.69
Rot. Bonds6

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

1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 75382614) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID75382614
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCOc1ccccc1C(C)NCc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C20H28N4O/c1-16(18-6-4-5-7-19(18)25-3)21-14-17-8-9-20(22-15-17)24-12-10-23(2)11-13-24/h4-9,15-16,21H,10-14H2,1-3H3
InChIKeyCDYGVAOXOCDQHD-UHFFFAOYSA-N
XLogP2.69
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 75382615
(1R)-1-(2-methoxy-5-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 97256225
3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31007571
5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline
CID 75382671
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine
CID 81388530
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444
1-benzyl-2-methyl-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 110954761
(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81397127
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55054608
(1R)-1-(2-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042579
4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28624330
1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682134

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 75382614) is 1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine is COc1ccccc1C(C)NCc1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is CDYGVAOXOCDQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16(18-6-4-5-7-19(18)25-3)21-14-17-8-9-20(22-15-17)24-12-10-23(2)11-13-24/h4-9,15-16,21H,10-14H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine?
1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 340.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 75382614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).