1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol

C18H38N2O3 — CID 156741773

IUPAC1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol
SMILESCCC(C)C(C)O.CCC(C)C(O)CN1CCN(CC)C(=O)C1
InChIInChI=1S/C12H24N2O2.C6H14O/c1-4-10(3)11(15)8-13-6-7-14(5-2)12(16)9-13;1-4-5(2)6(3)7/h10-11,15H,4-9H2,1-3H3;5-7H,4H2,1-3H3
InChIKeyXIRKUBNUBJIMGA-UHFFFAOYSA-N
MW330.51 g/mol
LogP1.97
Rot. Bonds7

About 1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol

1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol (PubChem CID 156741773) has the molecular formula C18H38N2O3 and a molecular weight of 330.51 g/mol. Its IUPAC name is 1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol.

Molecular Properties

Compound Name1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol
PubChem CID156741773
Molecular FormulaC18H38N2O3
Molecular Weight330.51 g/mol
Exact Mass330.29
IUPAC Name1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol
SMILESCCC(C)C(C)O.CCC(C)C(O)CN1CCN(CC)C(=O)C1
InChIInChI=1S/C12H24N2O2.C6H14O/c1-4-10(3)11(15)8-13-6-7-14(5-2)12(16)9-13;1-4-5(2)6(3)7/h10-11,15H,4-9H2,1-3H3;5-7H,4H2,1-3H3
InChIKeyXIRKUBNUBJIMGA-UHFFFAOYSA-N
XLogP1.97
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-(2-methylpropyl)piperazin-2-one
CID 117013553
4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one
CID 130841155
1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one
CID 131941282
1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one
CID 99791521
3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol
CID 103501727
4-ethyl-1-(1-sulfanylethyl)piperazin-2-one
CID 147733047
(2S,3R)-3-methylpentan-2-ol
CID 6993006
1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one
CID 164595271
4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
1-ethyl-4-hept-4-enylpiperazin-2-one
CID 171138334
1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one
CID 117013569
1-ethylpyrrolidin-2-one;propane-1,2-diol
CID 69270275

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol?
The IUPAC name of 1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol (CID 156741773) is 1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol.
What is the SMILES notation for 1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol?
The canonical SMILES for 1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol is CCC(C)C(C)O.CCC(C)C(O)CN1CCN(CC)C(=O)C1.
What is the InChIKey of 1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol?
The InChIKey is XIRKUBNUBJIMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C6H14O/c1-4-10(3)11(15)8-13-6-7-14(5-2)12(16)9-13;1-4-5(2)6(3)7/h10-11,15H,4-9H2,1-3H3;5-7H,4H2,1-3H3.
What are the key properties of 1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol?
1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol has a molecular weight of 330.51 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol is sourced from PubChem (CID 156741773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).