3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline

C18H24N4 — CID 99834710

IUPAC3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline
SMILESCCN1CCN(c2cccc(NCc3ccncc3)c2)CC1
InChIInChI=1S/C18H24N4/c1-2-21-10-12-22(13-11-21)18-5-3-4-17(14-18)20-15-16-6-8-19-9-7-16/h3-9,14,20H,2,10-13,15H2,1H3
InChIKeyHDJLALRYARPERZ-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.84
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline

3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline (PubChem CID 99834710) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline
PubChem CID99834710
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline
SMILESCCN1CCN(c2cccc(NCc3ccncc3)c2)CC1
InChIInChI=1S/C18H24N4/c1-2-21-10-12-22(13-11-21)18-5-3-4-17(14-18)20-15-16-6-8-19-9-7-16/h3-9,14,20H,2,10-13,15H2,1H3
InChIKeyHDJLALRYARPERZ-UHFFFAOYSA-N
XLogP2.84
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 99834704
N-benzyl-4-(4-ethylpiperazin-1-yl)aniline
CID 112721983
3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline
CID 99834709
N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691841
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
CID 91137331
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943058
4-[(3-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 60942190
N-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline
CID 62747482
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999
2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine
CID 66712536
1-ethyl-4-pyridin-4-yl-1,4-diazepane
CID 121451794

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline (CID 99834710) is 3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline is CCN1CCN(c2cccc(NCc3ccncc3)c2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is HDJLALRYARPERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-21-10-12-22(13-11-21)18-5-3-4-17(14-18)20-15-16-6-8-19-9-7-16/h3-9,14,20H,2,10-13,15H2,1H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline?
3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 296.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 99834710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).