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

C14H23NO — CID 142562572

IUPAC4-methoxy-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine
SMILESC=C/C(=C\C=C(C)C)N1CCC(OC)CC1
InChIInChI=1S/C14H23NO/c1-5-13(7-6-12(2)3)15-10-8-14(16-4)9-11-15/h5-7,14H,1,8-11H2,2-4H3/b13-7+
InChIKeyLBDIXXIQVMTUEA-NTUHNPAUSA-N
MW221.34 g/mol
LogP3.13
Rot. Bonds4

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

4-methoxy-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine (PubChem CID 142562572) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-methoxy-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine.

Molecular Properties

Compound Name4-methoxy-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine
PubChem CID142562572
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-methoxy-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine
SMILESC=C/C(=C\C=C(C)C)N1CCC(OC)CC1
InChIInChI=1S/C14H23NO/c1-5-13(7-6-12(2)3)15-10-8-14(16-4)9-11-15/h5-7,14H,1,8-11H2,2-4H3/b13-7+
InChIKeyLBDIXXIQVMTUEA-NTUHNPAUSA-N
XLogP3.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
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 4-methoxy-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine?
The IUPAC name of 4-methoxy-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine (CID 142562572) is 4-methoxy-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine.
What is the SMILES notation for 4-methoxy-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine?
The canonical SMILES for 4-methoxy-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine is C=C/C(=C\C=C(C)C)N1CCC(OC)CC1.
What is the InChIKey of 4-methoxy-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine?
The InChIKey is LBDIXXIQVMTUEA-NTUHNPAUSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-13(7-6-12(2)3)15-10-8-14(16-4)9-11-15/h5-7,14H,1,8-11H2,2-4H3/b13-7+.
What are the key properties of 4-methoxy-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine?
4-methoxy-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine has a molecular weight of 221.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine is sourced from PubChem (CID 142562572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).