1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine

C16H27N3O — CID 60860556

IUPAC1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine
SMILESCCN1CCN(Cc2cc(C(C)N)ccc2OC)CC1
InChIInChI=1S/C16H27N3O/c1-4-18-7-9-19(10-8-18)12-15-11-14(13(2)17)5-6-16(15)20-3/h5-6,11,13H,4,7-10,12,17H2,1-3H3
InChIKeyDIWLYJUNQCRJKQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.85
Rot. Bonds5

About 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine

1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine (PubChem CID 60860556) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine
PubChem CID60860556
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine
SMILESCCN1CCN(Cc2cc(C(C)N)ccc2OC)CC1
InChIInChI=1S/C16H27N3O/c1-4-18-7-9-19(10-8-18)12-15-11-14(13(2)17)5-6-16(15)20-3/h5-6,11,13H,4,7-10,12,17H2,1-3H3
InChIKeyDIWLYJUNQCRJKQ-UHFFFAOYSA-N
XLogP1.85
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol
CID 66515878
1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine
CID 102965482
(1S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethanamine
CID 93342575
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]azepan-2-one
CID 60860741
1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 82166048
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 60860252
1-[3-[(3-ethylmorpholin-4-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860565
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178939
1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]ethanamine
CID 54927768
4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one
CID 79467860
(2S)-1-[4-[(2-methoxy-5-propan-2-ylphenyl)methyl]piperazin-1-yl]-2-methylbutan-1-one
CID 44625195

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine?
The IUPAC name of 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine (CID 60860556) is 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine.
What is the SMILES notation for 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine?
The canonical SMILES for 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine is CCN1CCN(Cc2cc(C(C)N)ccc2OC)CC1.
What is the InChIKey of 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine?
The InChIKey is DIWLYJUNQCRJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-18-7-9-19(10-8-18)12-15-11-14(13(2)17)5-6-16(15)20-3/h5-6,11,13H,4,7-10,12,17H2,1-3H3.
What are the key properties of 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine?
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 60860556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).