1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine

C15H25NO — CID 146300647

IUPAC1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine
SMILESC=C(C)/C=C\C=C(/C)OCCN1CCCCC1
InChIInChI=1S/C15H25NO/c1-14(2)8-7-9-15(3)17-13-12-16-10-5-4-6-11-16/h7-9H,1,4-6,10-13H2,2-3H3/b8-7-,15-9+
InChIKeyKFMLTEATFVFGFA-USTJKHOZSA-N
MW235.37 g/mol
LogP3.53
Rot. Bonds6

About 1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine

1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine (PubChem CID 146300647) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine
PubChem CID146300647
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine
SMILESC=C(C)/C=C\C=C(/C)OCCN1CCCCC1
InChIInChI=1S/C15H25NO/c1-14(2)8-7-9-15(3)17-13-12-16-10-5-4-6-11-16/h7-9H,1,4-6,10-13H2,2-3H3/b8-7-,15-9+
InChIKeyKFMLTEATFVFGFA-USTJKHOZSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
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 1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine?
The IUPAC name of 1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine (CID 146300647) is 1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine.
What is the SMILES notation for 1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine?
The canonical SMILES for 1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine is C=C(C)/C=C\C=C(/C)OCCN1CCCCC1.
What is the InChIKey of 1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine?
The InChIKey is KFMLTEATFVFGFA-USTJKHOZSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(2)8-7-9-15(3)17-13-12-16-10-5-4-6-11-16/h7-9H,1,4-6,10-13H2,2-3H3/b8-7-,15-9+.
What are the key properties of 1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine?
1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine has a molecular weight of 235.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-2-yl]oxyethyl]piperidine is sourced from PubChem (CID 146300647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).