(4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone

C18H29N3O2+2 — CID 7368546

IUPAC(4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone
SMILESCC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-19-7-9-21(10-8-19)18(22)17-5-3-16(4-6-17)15-20-11-13-23-14-12-20/h3-6H,2,7-15H2,1H3/p+2
InChIKeyNFJDBIJKJOLKRQ-UHFFFAOYSA-P
MW319.45 g/mol
LogP-1.54
Rot. Bonds4

About (4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone

(4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone (PubChem CID 7368546) has the molecular formula C18H29N3O2+2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone
PubChem CID7368546
Molecular FormulaC18H29N3O2+2
Molecular Weight319.45 g/mol
Exact Mass319.22
IUPAC Name(4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone
SMILESCC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-19-7-9-21(10-8-19)18(22)17-5-3-16(4-6-17)15-20-11-13-23-14-12-20/h3-6H,2,7-15H2,1H3/p+2
InChIKeyNFJDBIJKJOLKRQ-UHFFFAOYSA-P
XLogP-1.54
TPSA38.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone with MolForge

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Related Compounds

(4-nitrophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 7027641
(4-benzylpiperazin-4-ium-1-yl)-phenylmethanone chloride
CID 18530111
(4-benzylpiperazin-4-ium-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 8713455
[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone
CID 4741479
4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
CID 6935973
(4-benzylpiperazin-4-ium-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 2496345
[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone
CID 4754515
[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone
CID 7364421
(4-fluorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 3684044
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-tert-butylphenyl)methanone
CID 7297614
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
(4-nitrophenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 3296857

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone?
The IUPAC name of (4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone (CID 7368546) is (4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone is CC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)CC1.
What is the InChIKey of (4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone?
The InChIKey is NFJDBIJKJOLKRQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H27N3O2/c1-2-19-7-9-21(10-8-19)18(22)17-5-3-16(4-6-17)15-20-11-13-23-14-12-20/h3-6H,2,7-15H2,1H3/p+2.
What are the key properties of (4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone?
(4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone has a molecular weight of 319.45 g/mol, XLogP of -1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-4-ium-1-yl)-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 7368546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).