1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde

C15H23NO — CID 143868126

IUPAC1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde
SMILESC=CC/C=C\C(=C/C)CN1CCC(C=O)CC1
InChIInChI=1S/C15H23NO/c1-3-5-6-7-14(4-2)12-16-10-8-15(13-17)9-11-16/h3-4,6-7,13,15H,1,5,8-12H2,2H3/b7-6-,14-4+
InChIKeyRLMIOCMIZJQXNX-UZGGPFDCSA-N
MW233.35 g/mol
LogP2.98
Rot. Bonds6

About 1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde

1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde (PubChem CID 143868126) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde
PubChem CID143868126
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde
SMILESC=CC/C=C\C(=C/C)CN1CCC(C=O)CC1
InChIInChI=1S/C15H23NO/c1-3-5-6-7-14(4-2)12-16-10-8-15(13-17)9-11-16/h3-4,6-7,13,15H,1,5,8-12H2,2H3/b7-6-,14-4+
InChIKeyRLMIOCMIZJQXNX-UZGGPFDCSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde (CID 143868126) is 1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde is C=CC/C=C\C(=C/C)CN1CCC(C=O)CC1.
What is the InChIKey of 1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde?
The InChIKey is RLMIOCMIZJQXNX-UZGGPFDCSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-5-6-7-14(4-2)12-16-10-8-15(13-17)9-11-16/h3-4,6-7,13,15H,1,5,8-12H2,2H3/b7-6-,14-4+.
What are the key properties of 1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde?
1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde has a molecular weight of 233.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 143868126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).