1-(4-butan-2-ylpiperazin-1-yl)-4-hydroxy-2-methylidenebutan-1-one

C13H24N2O2 — CID 167091632

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-4-hydroxy-2-methylidenebutan-1-one
SMILESC=C(CCO)C(=O)N1CCN(C(C)CC)CC1
InChIInChI=1S/C13H24N2O2/c1-4-12(3)14-6-8-15(9-7-14)13(17)11(2)5-10-16/h12,16H,2,4-10H2,1,3H3
InChIKeyPFWSXHDIHWUPMZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.87
Rot. Bonds5

About 1-(4-butan-2-ylpiperazin-1-yl)-4-hydroxy-2-methylidenebutan-1-one

1-(4-butan-2-ylpiperazin-1-yl)-4-hydroxy-2-methylidenebutan-1-one (PubChem CID 167091632) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-4-hydroxy-2-methylidenebutan-1-one.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-4-hydroxy-2-methylidenebutan-1-one
PubChem CID167091632
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-4-hydroxy-2-methylidenebutan-1-one
SMILESC=C(CCO)C(=O)N1CCN(C(C)CC)CC1
InChIInChI=1S/C13H24N2O2/c1-4-12(3)14-6-8-15(9-7-14)13(17)11(2)5-10-16/h12,16H,2,4-10H2,1,3H3
InChIKeyPFWSXHDIHWUPMZ-UHFFFAOYSA-N
XLogP0.87
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-butan-2-ylpiperazine-1-carbonyl chloride
CID 79887170
(2S)-2-[(4-butan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 55117131
1-(4-butan-2-ylpiperazin-1-yl)-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propan-1-one
CID 156819721
2-bromo-1-(4-butan-2-ylpiperazin-1-yl)-2-methylpropan-1-one
CID 114328618
6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
CID 62775914
(2R)-2-[(4-butan-2-ylpiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 80757592
(4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone
CID 176984609
2-amino-1-(4-butan-2-ylpiperazin-1-yl)-4-methylsulfonylbutan-1-one
CID 62777769
[1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone
CID 80588050
4-butan-2-yl-N-(2-chloropropanoyl)piperazine-1-carboxamide
CID 62778045
2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 62775745
1-butan-2-ylpiperidine-4-carboxylic acid
CID 43441619

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-4-hydroxy-2-methylidenebutan-1-one?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-4-hydroxy-2-methylidenebutan-1-one (CID 167091632) is 1-(4-butan-2-ylpiperazin-1-yl)-4-hydroxy-2-methylidenebutan-1-one.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-4-hydroxy-2-methylidenebutan-1-one?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-4-hydroxy-2-methylidenebutan-1-one is C=C(CCO)C(=O)N1CCN(C(C)CC)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-4-hydroxy-2-methylidenebutan-1-one?
The InChIKey is PFWSXHDIHWUPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-12(3)14-6-8-15(9-7-14)13(17)11(2)5-10-16/h12,16H,2,4-10H2,1,3H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-4-hydroxy-2-methylidenebutan-1-one?
1-(4-butan-2-ylpiperazin-1-yl)-4-hydroxy-2-methylidenebutan-1-one has a molecular weight of 240.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-4-hydroxy-2-methylidenebutan-1-one is sourced from PubChem (CID 167091632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).