1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine

C27H51N3O — CID 23052323

IUPAC1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine
SMILESCCCCCCCCCCCCCCCCCON1CCC(CCn2ccnc2)CC1
InChIInChI=1S/C27H51N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-31-30-22-18-27(19-23-30)17-21-29-24-20-28-26-29/h20,24,26-27H,2-19,21-23,25H2,1H3
InChIKeyOUBNOMCCKFZQHR-UHFFFAOYSA-N
MW433.73 g/mol
LogP7.79
Rot. Bonds20

About 1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine

1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine (PubChem CID 23052323) has the molecular formula C27H51N3O and a molecular weight of 433.73 g/mol. Its IUPAC name is 1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine.

Molecular Properties

Compound Name1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine
PubChem CID23052323
Molecular FormulaC27H51N3O
Molecular Weight433.73 g/mol
Exact Mass433.40
IUPAC Name1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine
SMILESCCCCCCCCCCCCCCCCCON1CCC(CCn2ccnc2)CC1
InChIInChI=1S/C27H51N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-31-30-22-18-27(19-23-30)17-21-29-24-20-28-26-29/h20,24,26-27H,2-19,21-23,25H2,1H3
InChIKeyOUBNOMCCKFZQHR-UHFFFAOYSA-N
XLogP7.79
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.73
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-imidazol-1-ylethyl)-1-octadecylpiperidine;dihydrochloride
CID 23052324
1-(dodecoxymethyl)imidazole
CID 102264585
1-nonylimidazole;hydrobromide
CID 175434544
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
1-[8-(2-cyclohexylethoxy)octyl]imidazole
CID 54118364
1-(13-ethoxytridecyl)imidazole
CID 145255635
1-ethylimidazole;octane
CID 145297576
carbonic acid;1-dodecylimidazole
CID 175596781
methyl dihydrogen phosphite;1-pentylimidazole
CID 174884184
acetic acid;1-decylimidazole
CID 175546754
sodium;1-butylimidazole;bromide
CID 175480877
1-pentoxypiperidine
CID 57031224

Frequently Asked Questions

What is the IUPAC name of 1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine?
The IUPAC name of 1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine (CID 23052323) is 1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine.
What is the SMILES notation for 1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine?
The canonical SMILES for 1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine is CCCCCCCCCCCCCCCCCON1CCC(CCn2ccnc2)CC1.
What is the InChIKey of 1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine?
The InChIKey is OUBNOMCCKFZQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-31-30-22-18-27(19-23-30)17-21-29-24-20-28-26-29/h20,24,26-27H,2-19,21-23,25H2,1H3.
What are the key properties of 1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine?
1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine has a molecular weight of 433.73 g/mol, XLogP of 7.79, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine is sourced from PubChem (CID 23052323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).