4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]piperidine

C11H16ClN — CID 89311498

IUPAC4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]piperidine
SMILESC=C/C(=C\C=C\Cl)C1CCNCC1
InChIInChI=1S/C11H16ClN/c1-2-10(4-3-7-12)11-5-8-13-9-6-11/h2-4,7,11,13H,1,5-6,8-9H2/b7-3+,10-4+
InChIKeyBECQQGUJWFHOIM-DROBUMMNSA-N
MW197.71 g/mol
LogP2.85
Rot. Bonds3

About 4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]piperidine

4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]piperidine (PubChem CID 89311498) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]piperidine.

Molecular Properties

Compound Name4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]piperidine
PubChem CID89311498
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]piperidine
SMILESC=C/C(=C\C=C\Cl)C1CCNCC1
InChIInChI=1S/C11H16ClN/c1-2-10(4-3-7-12)11-5-8-13-9-6-11/h2-4,7,11,13H,1,5-6,8-9H2/b7-3+,10-4+
InChIKeyBECQQGUJWFHOIM-DROBUMMNSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.85
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-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]piperidine?
The IUPAC name of 4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]piperidine (CID 89311498) is 4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]piperidine.
What is the SMILES notation for 4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]piperidine?
The canonical SMILES for 4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]piperidine is C=C/C(=C\C=C\Cl)C1CCNCC1.
What is the InChIKey of 4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]piperidine?
The InChIKey is BECQQGUJWFHOIM-DROBUMMNSA-N. The full InChI is InChI=1S/C11H16ClN/c1-2-10(4-3-7-12)11-5-8-13-9-6-11/h2-4,7,11,13H,1,5-6,8-9H2/b7-3+,10-4+.
What are the key properties of 4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]piperidine?
4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]piperidine has a molecular weight of 197.71 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]piperidine is sourced from PubChem (CID 89311498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).