1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone

C15H25NO — CID 142874259

IUPAC1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone
SMILESCC/C=C\C=C(/C)CN1CCC(C(C)=O)CC1
InChIInChI=1S/C15H25NO/c1-4-5-6-7-13(2)12-16-10-8-15(9-11-16)14(3)17/h5-7,15H,4,8-12H2,1-3H3/b6-5-,13-7+
InChIKeyUPALDKCMWHNIAV-RKOYKYSNSA-N
MW235.37 g/mol
LogP3.20
Rot. Bonds5

About 1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone

1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone (PubChem CID 142874259) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone
PubChem CID142874259
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone
SMILESCC/C=C\C=C(/C)CN1CCC(C(C)=O)CC1
InChIInChI=1S/C15H25NO/c1-4-5-6-7-13(2)12-16-10-8-15(9-11-16)14(3)17/h5-7,15H,4,8-12H2,1-3H3/b6-5-,13-7+
InChIKeyUPALDKCMWHNIAV-RKOYKYSNSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone (CID 142874259) is 1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone is CC/C=C\C=C(/C)CN1CCC(C(C)=O)CC1.
What is the InChIKey of 1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone?
The InChIKey is UPALDKCMWHNIAV-RKOYKYSNSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-6-7-13(2)12-16-10-8-15(9-11-16)14(3)17/h5-7,15H,4,8-12H2,1-3H3/b6-5-,13-7+.
What are the key properties of 1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone?
1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone has a molecular weight of 235.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 142874259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).