1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one

C15H30N2O2 — CID 110021753

IUPAC1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one
SMILESCCC(C)C(C)C(=O)N1CCN(C(CC)CO)CC1
InChIInChI=1S/C15H30N2O2/c1-5-12(3)13(4)15(19)17-9-7-16(8-10-17)14(6-2)11-18/h12-14,18H,5-11H2,1-4H3
InChIKeyQOOBYMLONUKAPR-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.58
Rot. Bonds6

About 1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one

1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one (PubChem CID 110021753) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one.

Molecular Properties

Compound Name1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one
PubChem CID110021753
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one
SMILESCCC(C)C(C)C(=O)N1CCN(C(CC)CO)CC1
InChIInChI=1S/C15H30N2O2/c1-5-12(3)13(4)15(19)17-9-7-16(8-10-17)14(6-2)11-18/h12-14,18H,5-11H2,1-4H3
InChIKeyQOOBYMLONUKAPR-UHFFFAOYSA-N
XLogP1.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one
CID 110012464
2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one;hydrochloride
CID 110012457
1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one
CID 111489679
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 63341069
4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one
CID 75391487
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one
CID 43252147
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol
CID 111466276
1-[(2R)-1-hydroxybutan-2-yl]piperidin-4-one
CID 130654701
(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
CID 107861678
1-(aziridin-1-yl)-2-methylbutan-1-one
CID 131176339
2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 176724089

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one?
The IUPAC name of 1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one (CID 110021753) is 1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one.
What is the SMILES notation for 1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one?
The canonical SMILES for 1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one is CCC(C)C(C)C(=O)N1CCN(C(CC)CO)CC1.
What is the InChIKey of 1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one?
The InChIKey is QOOBYMLONUKAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-12(3)13(4)15(19)17-9-7-16(8-10-17)14(6-2)11-18/h12-14,18H,5-11H2,1-4H3.
What are the key properties of 1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one?
1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one has a molecular weight of 270.42 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one is sourced from PubChem (CID 110021753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).