2-(2-octadecoxyethyl)piperidine

C25H51NO — CID 140997929

IUPAC2-(2-octadecoxyethyl)piperidine
SMILESCCCCCCCCCCCCCCCCCCOCCC1CCCCN1
InChIInChI=1S/C25H51NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-27-24-21-25-20-17-18-22-26-25/h25-26H,2-24H2,1H3
InChIKeyMOQDMSNOXSCQKE-UHFFFAOYSA-N
MW381.69 g/mol
LogP7.80
Rot. Bonds20

About 2-(2-octadecoxyethyl)piperidine

2-(2-octadecoxyethyl)piperidine (PubChem CID 140997929) has the molecular formula C25H51NO and a molecular weight of 381.69 g/mol. Its IUPAC name is 2-(2-octadecoxyethyl)piperidine.

Molecular Properties

Compound Name2-(2-octadecoxyethyl)piperidine
PubChem CID140997929
Molecular FormulaC25H51NO
Molecular Weight381.69 g/mol
Exact Mass381.40
IUPAC Name2-(2-octadecoxyethyl)piperidine
SMILESCCCCCCCCCCCCCCCCCCOCCC1CCCCN1
InChIInChI=1S/C25H51NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-27-24-21-25-20-17-18-22-26-25/h25-26H,2-24H2,1H3
InChIKeyMOQDMSNOXSCQKE-UHFFFAOYSA-N
XLogP7.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.69
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pentoxyethyl)piperidine;hydrochloride
CID 53408898
2-tetradecylpiperidine
CID 151771246
2-heptadecylazepane
CID 4009189
(2R)-2-(octoxymethyl)pyrrolidine
CID 102820024
(2S)-2-hexylpyrrolidine
CID 7047826
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863
2-[2-(3-methylbutoxy)ethyl]piperidine
CID 43149946
(2R)-2-[2-(3-methylbutoxy)ethyl]piperidine
CID 86313825
2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine
CID 62341420
2-[2-(3,3-diethoxypropoxy)ethyl]piperidine
CID 113320298
2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol
CID 106937966
azane;2-propylpiperidine
CID 156844924

Frequently Asked Questions

What is the IUPAC name of 2-(2-octadecoxyethyl)piperidine?
The IUPAC name of 2-(2-octadecoxyethyl)piperidine (CID 140997929) is 2-(2-octadecoxyethyl)piperidine.
What is the SMILES notation for 2-(2-octadecoxyethyl)piperidine?
The canonical SMILES for 2-(2-octadecoxyethyl)piperidine is CCCCCCCCCCCCCCCCCCOCCC1CCCCN1.
What is the InChIKey of 2-(2-octadecoxyethyl)piperidine?
The InChIKey is MOQDMSNOXSCQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-27-24-21-25-20-17-18-22-26-25/h25-26H,2-24H2,1H3.
What are the key properties of 2-(2-octadecoxyethyl)piperidine?
2-(2-octadecoxyethyl)piperidine has a molecular weight of 381.69 g/mol, XLogP of 7.80, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-octadecoxyethyl)piperidine is sourced from PubChem (CID 140997929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).