1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine

C25H43N — CID 139662729

IUPAC1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CN1CCCCC1
InChIInChI=1S/C25H43N/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)18-21-26-19-7-6-8-20-26/h12,14,16,18H,6-11,13,15,17,19-21H2,1-5H3/b23-14+,24-16+,25-18+
InChIKeyPRUFVHGFSDFZQF-WCGUESEVSA-N
MW357.63 g/mol
LogP7.62
Rot. Bonds11

About 1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine

1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine (PubChem CID 139662729) has the molecular formula C25H43N and a molecular weight of 357.63 g/mol. Its IUPAC name is 1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine.

Molecular Properties

Compound Name1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine
PubChem CID139662729
Molecular FormulaC25H43N
Molecular Weight357.63 g/mol
Exact Mass357.34
IUPAC Name1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CN1CCCCC1
InChIInChI=1S/C25H43N/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)18-21-26-19-7-6-8-20-26/h12,14,16,18H,6-11,13,15,17,19-21H2,1-5H3/b23-14+,24-16+,25-18+
InChIKeyPRUFVHGFSDFZQF-WCGUESEVSA-N
XLogP7.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.63
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine?
The IUPAC name of 1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine (CID 139662729) is 1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine.
What is the SMILES notation for 1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine?
The canonical SMILES for 1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CN1CCCCC1.
What is the InChIKey of 1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine?
The InChIKey is PRUFVHGFSDFZQF-WCGUESEVSA-N. The full InChI is InChI=1S/C25H43N/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)18-21-26-19-7-6-8-20-26/h12,14,16,18H,6-11,13,15,17,19-21H2,1-5H3/b23-14+,24-16+,25-18+.
What are the key properties of 1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine?
1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine has a molecular weight of 357.63 g/mol, XLogP of 7.62, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidine is sourced from PubChem (CID 139662729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).