3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine

C17H29NO — CID 143089619

IUPAC3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine
SMILESC=C/C(=C\C(=C/C)OCC1CCCNC1)C(C)CC
InChIInChI=1S/C17H29NO/c1-5-14(4)16(6-2)11-17(7-3)19-13-15-9-8-10-18-12-15/h6-7,11,14-15,18H,2,5,8-10,12-13H2,1,3-4H3/b16-11+,17-7+
InChIKeyKVAGZOFUSBMERT-UPVCKODDSA-N
MW263.43 g/mol
LogP4.06
Rot. Bonds7

About 3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine

3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine (PubChem CID 143089619) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine.

Molecular Properties

Compound Name3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine
PubChem CID143089619
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine
SMILESC=C/C(=C\C(=C/C)OCC1CCCNC1)C(C)CC
InChIInChI=1S/C17H29NO/c1-5-14(4)16(6-2)11-17(7-3)19-13-15-9-8-10-18-12-15/h6-7,11,14-15,18H,2,5,8-10,12-13H2,1,3-4H3/b16-11+,17-7+
InChIKeyKVAGZOFUSBMERT-UPVCKODDSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine?
The IUPAC name of 3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine (CID 143089619) is 3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine.
What is the SMILES notation for 3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine?
The canonical SMILES for 3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine is C=C/C(=C\C(=C/C)OCC1CCCNC1)C(C)CC.
What is the InChIKey of 3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine?
The InChIKey is KVAGZOFUSBMERT-UPVCKODDSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-14(4)16(6-2)11-17(7-3)19-13-15-9-8-10-18-12-15/h6-7,11,14-15,18H,2,5,8-10,12-13H2,1,3-4H3/b16-11+,17-7+.
What are the key properties of 3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine?
3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine has a molecular weight of 263.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine is sourced from PubChem (CID 143089619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).