ethyl 2-methyl-2-piperazin-1-ylnonanoate

C16H32N2O2 — CID 61002741

IUPACethyl 2-methyl-2-piperazin-1-ylnonanoate
SMILESCCCCCCCC(C)(C(=O)OCC)N1CCNCC1
InChIInChI=1S/C16H32N2O2/c1-4-6-7-8-9-10-16(3,15(19)20-5-2)18-13-11-17-12-14-18/h17H,4-14H2,1-3H3
InChIKeyHGLBBZMSGJOVLL-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.57
Rot. Bonds9

About ethyl 2-methyl-2-piperazin-1-ylnonanoate

ethyl 2-methyl-2-piperazin-1-ylnonanoate (PubChem CID 61002741) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 2-methyl-2-piperazin-1-ylnonanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-piperazin-1-ylnonanoate
PubChem CID61002741
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 2-methyl-2-piperazin-1-ylnonanoate
SMILESCCCCCCCC(C)(C(=O)OCC)N1CCNCC1
InChIInChI=1S/C16H32N2O2/c1-4-6-7-8-9-10-16(3,15(19)20-5-2)18-13-11-17-12-14-18/h17H,4-14H2,1-3H3
InChIKeyHGLBBZMSGJOVLL-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methyl-2-piperazin-1-yloctanoate
CID 54894792
ethyl 2-methyl-2-piperazin-1-ylbutanoate
CID 61001895
2-methyl-2-piperazin-1-ylnonanoic acid
CID 54890751
ethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate
CID 54895223
ethyl 2-(1,4-diazepan-1-yl)-2,4-dimethylpentanoate
CID 54890908
ethyl 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoate
CID 114832094
ethyl (2R)-2-amino-2-methyltridecanoate
CID 125497893
ethyl 2-heptyl-2-undecyltetradecanoate
CID 175402901
ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride
CID 11817243
N-hexyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548728
ethyl 2-cyclopropyl-2-(1,4-diazepan-1-yl)pentanoate
CID 114276047
N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550578

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-piperazin-1-ylnonanoate?
The IUPAC name of ethyl 2-methyl-2-piperazin-1-ylnonanoate (CID 61002741) is ethyl 2-methyl-2-piperazin-1-ylnonanoate.
What is the SMILES notation for ethyl 2-methyl-2-piperazin-1-ylnonanoate?
The canonical SMILES for ethyl 2-methyl-2-piperazin-1-ylnonanoate is CCCCCCCC(C)(C(=O)OCC)N1CCNCC1.
What is the InChIKey of ethyl 2-methyl-2-piperazin-1-ylnonanoate?
The InChIKey is HGLBBZMSGJOVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-4-6-7-8-9-10-16(3,15(19)20-5-2)18-13-11-17-12-14-18/h17H,4-14H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-piperazin-1-ylnonanoate?
ethyl 2-methyl-2-piperazin-1-ylnonanoate has a molecular weight of 284.44 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-piperazin-1-ylnonanoate is sourced from PubChem (CID 61002741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).