butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate

C14H28N2O2 — CID 62775211

IUPACbutyl 2-(4-butan-2-ylpiperazin-1-yl)acetate
SMILESCCCCOC(=O)CN1CCN(C(C)CC)CC1
InChIInChI=1S/C14H28N2O2/c1-4-6-11-18-14(17)12-15-7-9-16(10-8-15)13(3)5-2/h13H,4-12H2,1-3H3
InChIKeyOWKZHAOMFGYPOP-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.75
Rot. Bonds7

About butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate

butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate (PubChem CID 62775211) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(4-butan-2-ylpiperazin-1-yl)acetate
PubChem CID62775211
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namebutyl 2-(4-butan-2-ylpiperazin-1-yl)acetate
SMILESCCCCOC(=O)CN1CCN(C(C)CC)CC1
InChIInChI=1S/C14H28N2O2/c1-4-6-11-18-14(17)12-15-7-9-16(10-8-15)13(3)5-2/h13H,4-12H2,1-3H3
InChIKeyOWKZHAOMFGYPOP-UHFFFAOYSA-N
XLogP1.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-[4,7-bis(2-butoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 23113355
butyl 2-(4,4-dimethylpiperidin-1-yl)acetate
CID 62922575
butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate
CID 80702994
butyl 2-(4-cyclopentylpiperazin-1-yl)acetate
CID 55024857
butyl 2-(3,3-difluoroazetidin-1-yl)acetate
CID 71244409
butyl 2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetate
CID 86869708
butyl 2-(3,3,4-trimethylpiperazin-1-yl)acetate
CID 63610425
butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate
CID 103576801
butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate
CID 134055061
butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate
CID 63609586
butyl 3-(aziridin-1-yl)propanoate;methane
CID 160985577
[(Z)-octadec-9-enyl] 2-(4-methylpiperazin-1-yl)acetate
CID 10076460

Frequently Asked Questions

What is the IUPAC name of butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate?
The IUPAC name of butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate (CID 62775211) is butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate.
What is the SMILES notation for butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate?
The canonical SMILES for butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate is CCCCOC(=O)CN1CCN(C(C)CC)CC1.
What is the InChIKey of butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate?
The InChIKey is OWKZHAOMFGYPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-6-11-18-14(17)12-15-7-9-16(10-8-15)13(3)5-2/h13H,4-12H2,1-3H3.
What are the key properties of butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate?
butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate has a molecular weight of 256.39 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate is sourced from PubChem (CID 62775211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).