2-methyl-2-piperazin-1-ylnonanoic acid

C14H28N2O2 — CID 54890751

IUPAC2-methyl-2-piperazin-1-ylnonanoic acid
SMILESCCCCCCCC(C)(C(=O)O)N1CCNCC1
InChIInChI=1S/C14H28N2O2/c1-3-4-5-6-7-8-14(2,13(17)18)16-11-9-15-10-12-16/h15H,3-12H2,1-2H3,(H,17,18)
InChIKeyYQBQIRNVIZTHDH-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.10
Rot. Bonds8

About 2-methyl-2-piperazin-1-ylnonanoic acid

2-methyl-2-piperazin-1-ylnonanoic acid (PubChem CID 54890751) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-ylnonanoic acid.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-ylnonanoic acid
PubChem CID54890751
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-methyl-2-piperazin-1-ylnonanoic acid
SMILESCCCCCCCC(C)(C(=O)O)N1CCNCC1
InChIInChI=1S/C14H28N2O2/c1-3-4-5-6-7-8-14(2,13(17)18)16-11-9-15-10-12-16/h15H,3-12H2,1-2H3,(H,17,18)
InChIKeyYQBQIRNVIZTHDH-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ylnonanoate
CID 61002741
2-methyl-2-(3-oxopiperazin-1-yl)pentanoic acid
CID 82238430
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
N-hexyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548728
N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550578
2-chloro-2-methylheptanoic acid
CID 154037694
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
N-(7-methyltetradecan-7-yl)piperazine-1-carboxamide
CID 174183022
2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid
CID 82239792
N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548594

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-ylnonanoic acid?
The IUPAC name of 2-methyl-2-piperazin-1-ylnonanoic acid (CID 54890751) is 2-methyl-2-piperazin-1-ylnonanoic acid.
What is the SMILES notation for 2-methyl-2-piperazin-1-ylnonanoic acid?
The canonical SMILES for 2-methyl-2-piperazin-1-ylnonanoic acid is CCCCCCCC(C)(C(=O)O)N1CCNCC1.
What is the InChIKey of 2-methyl-2-piperazin-1-ylnonanoic acid?
The InChIKey is YQBQIRNVIZTHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-4-5-6-7-8-14(2,13(17)18)16-11-9-15-10-12-16/h15H,3-12H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-piperazin-1-ylnonanoic acid?
2-methyl-2-piperazin-1-ylnonanoic acid has a molecular weight of 256.39 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-ylnonanoic acid is sourced from PubChem (CID 54890751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).