ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C11H24N2O2 — CID 145315809

IUPACethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC.CC(C)N1CCN(C(=O)CO)CC1
InChIInChI=1S/C9H18N2O2.C2H6/c1-8(2)10-3-5-11(6-4-10)9(13)7-12;1-2/h8,12H,3-7H2,1-2H3;1-2H3
InChIKeyCQNUHQLTOCETST-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.56
Rot. Bonds2

About ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone

ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 145315809) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID145315809
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nameethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC.CC(C)N1CCN(C(=O)CO)CC1
InChIInChI=1S/C9H18N2O2.C2H6/c1-8(2)10-3-5-11(6-4-10)9(13)7-12;1-2/h8,12H,3-7H2,1-2H3;1-2H3
InChIKeyCQNUHQLTOCETST-UHFFFAOYSA-N
XLogP0.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 59553868
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 99583114
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one
CID 178000232
3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
CID 58847393
ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 156820072
ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide
CID 143433022
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 145315809) is ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC.CC(C)N1CCN(C(=O)CO)CC1.
What is the InChIKey of ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is CQNUHQLTOCETST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.C2H6/c1-8(2)10-3-5-11(6-4-10)9(13)7-12;1-2/h8,12H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 216.32 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 145315809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).