tetradecan-7-yl piperidine-2-carboxylate

C20H39NO2 — CID 167096260

IUPACtetradecan-7-yl piperidine-2-carboxylate
SMILESCCCCCCCC(CCCCCC)OC(=O)C1CCCCN1
InChIInChI=1S/C20H39NO2/c1-3-5-7-9-11-15-18(14-10-8-6-4-2)23-20(22)19-16-12-13-17-21-19/h18-19,21H,3-17H2,1-2H3
InChIKeyDIGVSPMBIPPRFS-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.37
Rot. Bonds13

About tetradecan-7-yl piperidine-2-carboxylate

tetradecan-7-yl piperidine-2-carboxylate (PubChem CID 167096260) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is tetradecan-7-yl piperidine-2-carboxylate.

Molecular Properties

Compound Nametetradecan-7-yl piperidine-2-carboxylate
PubChem CID167096260
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Nametetradecan-7-yl piperidine-2-carboxylate
SMILESCCCCCCCC(CCCCCC)OC(=O)C1CCCCN1
InChIInChI=1S/C20H39NO2/c1-3-5-7-9-11-15-18(14-10-8-6-4-2)23-20(22)19-16-12-13-17-21-19/h18-19,21H,3-17H2,1-2H3
InChIKeyDIGVSPMBIPPRFS-UHFFFAOYSA-N
XLogP5.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.37
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

[(E,5S)-12-iodododec-11-en-5-yl] (2S)-pyrrolidine-2-carboxylate
CID 25187608
(8-heptadecan-9-yloxy-8-oxooctyl) pyrrolidine-2-carboxylate
CID 176905476
1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate
CID 59049625
[(3R)-1-(6,6-dioctoxyhexanoyloxy)pentadecan-3-yl] (2R)-pyrrolidine-2-carboxylate
CID 125471378
pentan-2-yl piperidine-2-carboxylate
CID 102982469
octyl (2R)-piperidine-2-carboxylate
CID 11096763
hexyl azocane-2-carboxylate
CID 114239843
pentan-2-yl azepane-2-carboxylate
CID 102982576
butyl (2S)-piperidine-2-carboxylate
CID 54130362
hexadecan-8-yl piperidine-3-carboxylate
CID 129288016
propan-2-yl (2R)-piperidine-2-carboxylate
CID 10197895
heptyl pyrrolidine-2-carboxylate
CID 14777077

Frequently Asked Questions

What is the IUPAC name of tetradecan-7-yl piperidine-2-carboxylate?
The IUPAC name of tetradecan-7-yl piperidine-2-carboxylate (CID 167096260) is tetradecan-7-yl piperidine-2-carboxylate.
What is the SMILES notation for tetradecan-7-yl piperidine-2-carboxylate?
The canonical SMILES for tetradecan-7-yl piperidine-2-carboxylate is CCCCCCCC(CCCCCC)OC(=O)C1CCCCN1.
What is the InChIKey of tetradecan-7-yl piperidine-2-carboxylate?
The InChIKey is DIGVSPMBIPPRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-3-5-7-9-11-15-18(14-10-8-6-4-2)23-20(22)19-16-12-13-17-21-19/h18-19,21H,3-17H2,1-2H3.
What are the key properties of tetradecan-7-yl piperidine-2-carboxylate?
tetradecan-7-yl piperidine-2-carboxylate has a molecular weight of 325.54 g/mol, XLogP of 5.37, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecan-7-yl piperidine-2-carboxylate is sourced from PubChem (CID 167096260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).