4-(1-octadec-12-enoxyethyl)piperidine

C25H49NO — CID 123375311

IUPAC4-(1-octadec-12-enoxyethyl)piperidine
SMILESCCCCCC=CCCCCCCCCCCCOC(C)C1CCNCC1
InChIInChI=1S/C25H49NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-27-24(2)25-19-21-26-22-20-25/h7-8,24-26H,3-6,9-23H2,1-2H3
InChIKeySLNBJUZCLATZQJ-UHFFFAOYSA-N
MW379.67 g/mol
LogP7.43
Rot. Bonds18

About 4-(1-octadec-12-enoxyethyl)piperidine

4-(1-octadec-12-enoxyethyl)piperidine (PubChem CID 123375311) has the molecular formula C25H49NO and a molecular weight of 379.67 g/mol. Its IUPAC name is 4-(1-octadec-12-enoxyethyl)piperidine.

Molecular Properties

Compound Name4-(1-octadec-12-enoxyethyl)piperidine
PubChem CID123375311
Molecular FormulaC25H49NO
Molecular Weight379.67 g/mol
Exact Mass379.38
IUPAC Name4-(1-octadec-12-enoxyethyl)piperidine
SMILESCCCCCC=CCCCCCCCCCCCOC(C)C1CCNCC1
InChIInChI=1S/C25H49NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-27-24(2)25-19-21-26-22-20-25/h7-8,24-26H,3-6,9-23H2,1-2H3
InChIKeySLNBJUZCLATZQJ-UHFFFAOYSA-N
XLogP7.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.67
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[bis[(9Z,12Z)-octadeca-9,12-dienoxy]methyl]piperidine
CID 53339366
1-[(9Z,12Z)-octadeca-9,12-dienoxy]-3-piperidin-3-ylpropan-2-ol
CID 67209131
4-[(5S)-4,5-dipropylcyclohex-3-en-1-yl]oxypiperidine
CID 68083442
4-(6-Propyldec-1-en-4-yloxy)piperidine
CID 68084406
4-[octoxy-[(9Z,12Z)-pentadeca-9,12-dienoxy]methyl]piperidine
CID 68274261
N-[(1-methylpiperidin-4-yl)methyl]-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoxy]propan-1-amine
CID 68411196
4-[Bis(octadeca-9,12-dienoxy)methyl]piperidine
CID 76015152
N-methyl-3-[[(9Z,12Z)-octadeca-9,12-dienoxy]methyl]dodecan-1-amine
CID 87174254
N-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine
CID 88890815
4-[[3,4-Bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine
CID 123483470
6-[(11Z,14Z)-2-methoxyicosa-11,14-dienoxy]-N,5-dimethylhexan-1-amine
CID 131967759
1-methyl-4-[1-[(Z)-20-methylidenehentriacont-25-en-11-yl]oxyethenyl]piperidine
CID 132065103

Frequently Asked Questions

What is the IUPAC name of 4-(1-octadec-12-enoxyethyl)piperidine?
The IUPAC name of 4-(1-octadec-12-enoxyethyl)piperidine (CID 123375311) is 4-(1-octadec-12-enoxyethyl)piperidine.
What is the SMILES notation for 4-(1-octadec-12-enoxyethyl)piperidine?
The canonical SMILES for 4-(1-octadec-12-enoxyethyl)piperidine is CCCCCC=CCCCCCCCCCCCOC(C)C1CCNCC1.
What is the InChIKey of 4-(1-octadec-12-enoxyethyl)piperidine?
The InChIKey is SLNBJUZCLATZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-27-24(2)25-19-21-26-22-20-25/h7-8,24-26H,3-6,9-23H2,1-2H3.
What are the key properties of 4-(1-octadec-12-enoxyethyl)piperidine?
4-(1-octadec-12-enoxyethyl)piperidine has a molecular weight of 379.67 g/mol, XLogP of 7.43, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-octadec-12-enoxyethyl)piperidine is sourced from PubChem (CID 123375311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).