1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine

C18H33NO — CID 89355255

IUPAC1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine
SMILESCC(C)=C/C=C(\COCCN1CCCCC1)C(C)(C)C
InChIInChI=1S/C18H33NO/c1-16(2)9-10-17(18(3,4)5)15-20-14-13-19-11-7-6-8-12-19/h9-10H,6-8,11-15H2,1-5H3/b17-10+
InChIKeyFWXAICYTAFKOCJ-LICLKQGHSA-N
MW279.47 g/mol
LogP4.43
Rot. Bonds6

About 1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine

1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine (PubChem CID 89355255) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine
PubChem CID89355255
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine
SMILESCC(C)=C/C=C(\COCCN1CCCCC1)C(C)(C)C
InChIInChI=1S/C18H33NO/c1-16(2)9-10-17(18(3,4)5)15-20-14-13-19-11-7-6-8-12-19/h9-10H,6-8,11-15H2,1-5H3/b17-10+
InChIKeyFWXAICYTAFKOCJ-LICLKQGHSA-N
XLogP4.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine (CID 89355255) is 1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine is CC(C)=C/C=C(\COCCN1CCCCC1)C(C)(C)C.
What is the InChIKey of 1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine?
The InChIKey is FWXAICYTAFKOCJ-LICLKQGHSA-N. The full InChI is InChI=1S/C18H33NO/c1-16(2)9-10-17(18(3,4)5)15-20-14-13-19-11-7-6-8-12-19/h9-10H,6-8,11-15H2,1-5H3/b17-10+.
What are the key properties of 1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine?
1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine has a molecular weight of 279.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2Z)-2-tert-butyl-5-methylhexa-2,4-dienoxy]ethyl]piperidine is sourced from PubChem (CID 89355255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).