methyl 2-methyl-2-piperazin-1-yloctanoate

C14H28N2O2 — CID 54894792

IUPACmethyl 2-methyl-2-piperazin-1-yloctanoate
SMILESCCCCCCC(C)(C(=O)OC)N1CCNCC1
InChIInChI=1S/C14H28N2O2/c1-4-5-6-7-8-14(2,13(17)18-3)16-11-9-15-10-12-16/h15H,4-12H2,1-3H3
InChIKeyVQNLUXIXKKPWLW-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds7

About methyl 2-methyl-2-piperazin-1-yloctanoate

methyl 2-methyl-2-piperazin-1-yloctanoate (PubChem CID 54894792) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 2-methyl-2-piperazin-1-yloctanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-piperazin-1-yloctanoate
PubChem CID54894792
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 2-methyl-2-piperazin-1-yloctanoate
SMILESCCCCCCC(C)(C(=O)OC)N1CCNCC1
InChIInChI=1S/C14H28N2O2/c1-4-5-6-7-8-14(2,13(17)18-3)16-11-9-15-10-12-16/h15H,4-12H2,1-3H3
InChIKeyVQNLUXIXKKPWLW-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.79
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

ethyl 2-methyl-2-piperazin-1-ylnonanoate
CID 61002741
2-methyl-2-piperazin-1-ylnonanoic acid
CID 54890751
methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate
CID 61002266
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
methyl 2-hydroxy-2-methylnonanoate
CID 62212880
N-hexyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548728
methyl 2-chloro-2-methyldodecanoate
CID 14293501
methyl 2-hydroxy-2-methylheptanoate
CID 80558778
N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550578
ethyl 2-methyl-2-piperazin-1-ylbutanoate
CID 61001895
N-(7-methyltetradecan-7-yl)piperazine-1-carboxamide
CID 174183022
dimethyl 2,2-di(nonyl)propanedioate
CID 166760695

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-piperazin-1-yloctanoate?
The IUPAC name of methyl 2-methyl-2-piperazin-1-yloctanoate (CID 54894792) is methyl 2-methyl-2-piperazin-1-yloctanoate.
What is the SMILES notation for methyl 2-methyl-2-piperazin-1-yloctanoate?
The canonical SMILES for methyl 2-methyl-2-piperazin-1-yloctanoate is CCCCCCC(C)(C(=O)OC)N1CCNCC1.
What is the InChIKey of methyl 2-methyl-2-piperazin-1-yloctanoate?
The InChIKey is VQNLUXIXKKPWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-5-6-7-8-14(2,13(17)18-3)16-11-9-15-10-12-16/h15H,4-12H2,1-3H3.
What are the key properties of methyl 2-methyl-2-piperazin-1-yloctanoate?
methyl 2-methyl-2-piperazin-1-yloctanoate has a molecular weight of 256.39 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-piperazin-1-yloctanoate is sourced from PubChem (CID 54894792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).