2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone

C14H27N3O2 — CID 21061564

IUPAC2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone
SMILESCC(C)(C)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)17-6-4-15(5-7-17)12-13(18)16-8-10-19-11-9-16/h4-12H2,1-3H3
InChIKeyYMGXVXXJEOVUAV-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.26
Rot. Bonds2

About 2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone

2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone (PubChem CID 21061564) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone
PubChem CID21061564
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone
SMILESCC(C)(C)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)17-6-4-15(5-7-17)12-13(18)16-8-10-19-11-9-16/h4-12H2,1-3H3
InChIKeyYMGXVXXJEOVUAV-UHFFFAOYSA-N
XLogP0.26
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43396296
1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 55515697
1-(4-tert-butylpiperazin-1-yl)-2-(oxan-4-yl)ethanone
CID 129268223
2-[4-(methylamino)piperidin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 119923636
2-[4-[(E)-1-aminobut-1-enyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 134406789
2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120594799
2-(4-aminopiperidin-1-yl)-1-morpholin-4-ylethanone;dihydrochloride
CID 56773516
4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119834225
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 78808588
2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 17441973
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone (CID 21061564) is 2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone is CC(C)(C)N1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is YMGXVXXJEOVUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)17-6-4-15(5-7-17)12-13(18)16-8-10-19-11-9-16/h4-12H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone?
2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 269.39 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 21061564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).