octyl (2R)-piperidine-2-carboxylate

C14H27NO2 — CID 11096763

IUPACoctyl (2R)-piperidine-2-carboxylate
SMILESCCCCCCCCOC(=O)[C@H]1CCCCN1
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-9-12-17-14(16)13-10-7-8-11-15-13/h13,15H,2-12H2,1H3/t13-/m1/s1
InChIKeyOXUDEWLNCXINDY-CYBMUJFWSA-N
MW241.37 g/mol
LogP3.03
Rot. Bonds8

About octyl (2R)-piperidine-2-carboxylate

octyl (2R)-piperidine-2-carboxylate (PubChem CID 11096763) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is octyl (2R)-piperidine-2-carboxylate.

Molecular Properties

Compound Nameoctyl (2R)-piperidine-2-carboxylate
PubChem CID11096763
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameoctyl (2R)-piperidine-2-carboxylate
SMILESCCCCCCCCOC(=O)[C@H]1CCCCN1
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-9-12-17-14(16)13-10-7-8-11-15-13/h13,15H,2-12H2,1H3/t13-/m1/s1
InChIKeyOXUDEWLNCXINDY-CYBMUJFWSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexyl azocane-2-carboxylate
CID 114239843
heptyl pyrrolidine-2-carboxylate
CID 14777077
butyl (2S)-piperidine-2-carboxylate
CID 54130362
propyl piperidine-2-carboxylate
CID 43248024
3-aminopropyl piperidine-2-carboxylate
CID 71376838
(8-heptadecan-9-yloxy-8-oxooctyl) pyrrolidine-2-carboxylate
CID 176905476
2-ethoxyethyl piperidine-2-carboxylate
CID 61278011
tetradecan-7-yl piperidine-2-carboxylate
CID 167096260
pentyl 4-methylpiperidine-2-carboxylate
CID 114425079
2-O-dodecyl 1-O-heptyl cyclohexane-1,2-dicarboxylate
CID 66983243
nonyl cyclopentanecarboxylate
CID 575427
pentyl piperazine-2-carboxylate
CID 173092252

Frequently Asked Questions

What is the IUPAC name of octyl (2R)-piperidine-2-carboxylate?
The IUPAC name of octyl (2R)-piperidine-2-carboxylate (CID 11096763) is octyl (2R)-piperidine-2-carboxylate.
What is the SMILES notation for octyl (2R)-piperidine-2-carboxylate?
The canonical SMILES for octyl (2R)-piperidine-2-carboxylate is CCCCCCCCOC(=O)[C@H]1CCCCN1.
What is the InChIKey of octyl (2R)-piperidine-2-carboxylate?
The InChIKey is OXUDEWLNCXINDY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-5-6-9-12-17-14(16)13-10-7-8-11-15-13/h13,15H,2-12H2,1H3/t13-/m1/s1.
What are the key properties of octyl (2R)-piperidine-2-carboxylate?
octyl (2R)-piperidine-2-carboxylate has a molecular weight of 241.37 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl (2R)-piperidine-2-carboxylate is sourced from PubChem (CID 11096763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).