3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one

C10H21N3O3 — CID 106111291

IUPAC3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one
SMILESCOC(CN)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C10H21N3O3/c1-16-9(8-11)10(15)13-4-2-12(3-5-13)6-7-14/h9,14H,2-8,11H2,1H3
InChIKeyFWYWUIXGUDSXST-UHFFFAOYSA-N
MW231.30 g/mol
LogP-1.90
Rot. Bonds5

About 3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one

3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one (PubChem CID 106111291) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one
PubChem CID106111291
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one
SMILESCOC(CN)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C10H21N3O3/c1-16-9(8-11)10(15)13-4-2-12(3-5-13)6-7-14/h9,14H,2-8,11H2,1H3
InChIKeyFWYWUIXGUDSXST-UHFFFAOYSA-N
XLogP-1.90
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-1.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methoxy-1-(4-prop-2-ynylpiperazin-1-yl)propan-1-one
CID 106112176
3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 106111361
3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111138
4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 106112145
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
3-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-methoxypropan-1-one
CID 106111928
3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one
CID 114145012
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
CID 71941849
4-hydroxy-2-methoxy-1-pyrrolidin-1-ylbutan-1-one
CID 102568032
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate
CID 67621651
methyl 2-bromo-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoate
CID 81100700
2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 43393114

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one?
The IUPAC name of 3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one (CID 106111291) is 3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one.
What is the SMILES notation for 3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one?
The canonical SMILES for 3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one is COC(CN)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of 3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one?
The InChIKey is FWYWUIXGUDSXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-16-9(8-11)10(15)13-4-2-12(3-5-13)6-7-14/h9,14H,2-8,11H2,1H3.
What are the key properties of 3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one?
3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one has a molecular weight of 231.30 g/mol, XLogP of -1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one is sourced from PubChem (CID 106111291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).