pentyl piperazine-2-carboxylate

C10H20N2O2 — CID 173092252

IUPACpentyl piperazine-2-carboxylate
SMILESCCCCCOC(=O)C1CNCCN1
InChIInChI=1S/C10H20N2O2/c1-2-3-4-7-14-10(13)9-8-11-5-6-12-9/h9,11-12H,2-8H2,1H3
InChIKeyRXNPIBGDXBYXJP-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.28
Rot. Bonds5

About pentyl piperazine-2-carboxylate

pentyl piperazine-2-carboxylate (PubChem CID 173092252) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is pentyl piperazine-2-carboxylate.

Molecular Properties

Compound Namepentyl piperazine-2-carboxylate
PubChem CID173092252
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namepentyl piperazine-2-carboxylate
SMILESCCCCCOC(=O)C1CNCCN1
InChIInChI=1S/C10H20N2O2/c1-2-3-4-7-14-10(13)9-8-11-5-6-12-9/h9,11-12H,2-8H2,1H3
InChIKeyRXNPIBGDXBYXJP-UHFFFAOYSA-N
XLogP0.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-aminopropyl (2S)-piperazine-2-carboxylate
CID 175395904
ethyl piperazine-2-carboxylate
CID 10633257
heptyl pyrrolidine-2-carboxylate
CID 14777077
octyl (2R)-piperidine-2-carboxylate
CID 11096763
pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63842504
hexyl azocane-2-carboxylate
CID 114239843
pentyl 4-methylpiperidine-2-carboxylate
CID 114425079
octyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 70134324
butyl (2S)-piperidine-2-carboxylate
CID 54130362
heptyl piperidine-3-carboxylate
CID 13360541
butyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63843699
docosyl (2S)-4-oxoazetidine-2-carboxylate
CID 100921678

Frequently Asked Questions

What is the IUPAC name of pentyl piperazine-2-carboxylate?
The IUPAC name of pentyl piperazine-2-carboxylate (CID 173092252) is pentyl piperazine-2-carboxylate.
What is the SMILES notation for pentyl piperazine-2-carboxylate?
The canonical SMILES for pentyl piperazine-2-carboxylate is CCCCCOC(=O)C1CNCCN1.
What is the InChIKey of pentyl piperazine-2-carboxylate?
The InChIKey is RXNPIBGDXBYXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-4-7-14-10(13)9-8-11-5-6-12-9/h9,11-12H,2-8H2,1H3.
What are the key properties of pentyl piperazine-2-carboxylate?
pentyl piperazine-2-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl piperazine-2-carboxylate is sourced from PubChem (CID 173092252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).