4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine

C13H21N — CID 89125148

IUPAC4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine
SMILESC=C/C(=C\C=C/C)CC1CCNCC1
InChIInChI=1S/C13H21N/c1-3-5-6-12(4-2)11-13-7-9-14-10-8-13/h3-6,13-14H,2,7-11H2,1H3/b5-3-,12-6+
InChIKeyATFSHEURNUOUMI-YXMBOXQASA-N
MW191.32 g/mol
LogP3.06
Rot. Bonds4

About 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine

4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine (PubChem CID 89125148) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine.

Molecular Properties

Compound Name4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine
PubChem CID89125148
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine
SMILESC=C/C(=C\C=C/C)CC1CCNCC1
InChIInChI=1S/C13H21N/c1-3-5-6-12(4-2)11-13-7-9-14-10-8-13/h3-6,13-14H,2,7-11H2,1H3/b5-3-,12-6+
InChIKeyATFSHEURNUOUMI-YXMBOXQASA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine?
The IUPAC name of 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine (CID 89125148) is 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine.
What is the SMILES notation for 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine?
The canonical SMILES for 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine is C=C/C(=C\C=C/C)CC1CCNCC1.
What is the InChIKey of 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine?
The InChIKey is ATFSHEURNUOUMI-YXMBOXQASA-N. The full InChI is InChI=1S/C13H21N/c1-3-5-6-12(4-2)11-13-7-9-14-10-8-13/h3-6,13-14H,2,7-11H2,1H3/b5-3-,12-6+.
What are the key properties of 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine?
4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine has a molecular weight of 191.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine is sourced from PubChem (CID 89125148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).