2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine

C15H27NO — CID 129055713

IUPAC2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine
SMILESC/C=C\C(=C/C)C(OC(C)C)C1CCCCN1
InChIInChI=1S/C15H27NO/c1-5-9-13(6-2)15(17-12(3)4)14-10-7-8-11-16-14/h5-6,9,12,14-16H,7-8,10-11H2,1-4H3/b9-5-,13-6+
InChIKeyKCEMTEUQCLXDBP-PPYHSCCKSA-N
MW237.39 g/mol
LogP3.44
Rot. Bonds5

About 2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine

2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine (PubChem CID 129055713) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine.

Molecular Properties

Compound Name2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine
PubChem CID129055713
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine
SMILESC/C=C\C(=C/C)C(OC(C)C)C1CCCCN1
InChIInChI=1S/C15H27NO/c1-5-9-13(6-2)15(17-12(3)4)14-10-7-8-11-16-14/h5-6,9,12,14-16H,7-8,10-11H2,1-4H3/b9-5-,13-6+
InChIKeyKCEMTEUQCLXDBP-PPYHSCCKSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
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 2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine?
The IUPAC name of 2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine (CID 129055713) is 2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine.
What is the SMILES notation for 2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine?
The canonical SMILES for 2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine is C/C=C\C(=C/C)C(OC(C)C)C1CCCCN1.
What is the InChIKey of 2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine?
The InChIKey is KCEMTEUQCLXDBP-PPYHSCCKSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-9-13(6-2)15(17-12(3)4)14-10-7-8-11-16-14/h5-6,9,12,14-16H,7-8,10-11H2,1-4H3/b9-5-,13-6+.
What are the key properties of 2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine?
2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine has a molecular weight of 237.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine is sourced from PubChem (CID 129055713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).