2-[(Z,2E)-2-ethylidene-1-(2-methylpropoxy)pent-3-enyl]piperidine

C16H29NO — CID 126664178

IUPAC2-[(Z,2E)-2-ethylidene-1-(2-methylpropoxy)pent-3-enyl]piperidine
SMILESC/C=C\C(=C/C)C(OCC(C)C)C1CCCCN1
InChIInChI=1S/C16H29NO/c1-5-9-14(6-2)16(18-12-13(3)4)15-10-7-8-11-17-15/h5-6,9,13,15-17H,7-8,10-12H2,1-4H3/b9-5-,14-6+
InChIKeyAOMQYGVMQZKYFE-XPYUXOTHSA-N
MW251.41 g/mol
LogP3.69
Rot. Bonds6

About 2-[(Z,2E)-2-ethylidene-1-(2-methylpropoxy)pent-3-enyl]piperidine

2-[(Z,2E)-2-ethylidene-1-(2-methylpropoxy)pent-3-enyl]piperidine (PubChem CID 126664178) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-[(Z,2E)-2-ethylidene-1-(2-methylpropoxy)pent-3-enyl]piperidine.

Molecular Properties

Compound Name2-[(Z,2E)-2-ethylidene-1-(2-methylpropoxy)pent-3-enyl]piperidine
PubChem CID126664178
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-[(Z,2E)-2-ethylidene-1-(2-methylpropoxy)pent-3-enyl]piperidine
SMILESC/C=C\C(=C/C)C(OCC(C)C)C1CCCCN1
InChIInChI=1S/C16H29NO/c1-5-9-14(6-2)16(18-12-13(3)4)15-10-7-8-11-17-15/h5-6,9,13,15-17H,7-8,10-12H2,1-4H3/b9-5-,14-6+
InChIKeyAOMQYGVMQZKYFE-XPYUXOTHSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.69
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-(2-methylpropoxy)pent-3-enyl]piperidine?
The IUPAC name of 2-[(Z,2E)-2-ethylidene-1-(2-methylpropoxy)pent-3-enyl]piperidine (CID 126664178) is 2-[(Z,2E)-2-ethylidene-1-(2-methylpropoxy)pent-3-enyl]piperidine.
What is the SMILES notation for 2-[(Z,2E)-2-ethylidene-1-(2-methylpropoxy)pent-3-enyl]piperidine?
The canonical SMILES for 2-[(Z,2E)-2-ethylidene-1-(2-methylpropoxy)pent-3-enyl]piperidine is C/C=C\C(=C/C)C(OCC(C)C)C1CCCCN1.
What is the InChIKey of 2-[(Z,2E)-2-ethylidene-1-(2-methylpropoxy)pent-3-enyl]piperidine?
The InChIKey is AOMQYGVMQZKYFE-XPYUXOTHSA-N. The full InChI is InChI=1S/C16H29NO/c1-5-9-14(6-2)16(18-12-13(3)4)15-10-7-8-11-17-15/h5-6,9,13,15-17H,7-8,10-12H2,1-4H3/b9-5-,14-6+.
What are the key properties of 2-[(Z,2E)-2-ethylidene-1-(2-methylpropoxy)pent-3-enyl]piperidine?
2-[(Z,2E)-2-ethylidene-1-(2-methylpropoxy)pent-3-enyl]piperidine has a molecular weight of 251.41 g/mol, XLogP of 3.69, 6 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-(2-methylpropoxy)pent-3-enyl]piperidine is sourced from PubChem (CID 126664178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).