4,4-difluoro-1-[2-[4-[(5Z)-3,6,7-trimethylnona-3,5-dien-4-yl]piperidin-1-yl]ethyl]piperidine

C24H42F2N2 — CID 176922351

About 4,4-difluoro-1-[2-[4-[(5Z)-3,6,7-trimethylnona-3,5-dien-4-yl]piperidin-1-yl]ethyl]piperidine

4,4-difluoro-1-[2-[4-[(5Z)-3,6,7-trimethylnona-3,5-dien-4-yl]piperidin-1-yl]ethyl]piperidine (PubChem CID 176922351) has the molecular formula C24H42F2N2 and a molecular weight of 396.61 g/mol. Its IUPAC name is 4,4-difluoro-1-[2-[4-[(5Z)-3,6,7-trimethylnona-3,5-dien-4-yl]piperidin-1-yl]ethyl]piperidine.

Molecular Properties

• Compound Name: 4,4-difluoro-1-[2-[4-[(5Z)-3,6,7-trimethylnona-3,5-dien-4-yl]piperidin-1-yl]ethyl]piperidine
• PubChem CID: 176922351
• Molecular Formula: C24H42F2N2
• Molecular Weight: 396.61 g/mol
• Exact Mass: 396.33
• IUPAC Name: 4,4-difluoro-1-[2-[4-[(5Z)-3,6,7-trimethylnona-3,5-dien-4-yl]piperidin-1-yl]ethyl]piperidine
• SMILES: CCC(C)=C(/C=C(/C)C(C)CC)C1CCN(CCN2CCC(F)(F)CC2)CC1
• InChI: InChI=1S/C24H42F2N2/c1-6-19(3)21(5)18-23(20(4)7-2)22-8-12-27(13-9-22)16-17-28-14-10-24(25,26)11-15-28/h18-19,22H,6-17H2,1-5H3/b21-18-,23-20?
• InChIKey: QZDRKKZCBZGKSH-RTFHNISQSA-N
• XLogP: 6.15
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.61
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[2-[4-[(5Z)-3,6,7-trimethylnona-3,5-dien-4-yl]piperidin-1-yl]ethyl]piperidine?

The IUPAC name of 4,4-difluoro-1-[2-[4-[(5Z)-3,6,7-trimethylnona-3,5-dien-4-yl]piperidin-1-yl]ethyl]piperidine (CID 176922351) is 4,4-difluoro-1-[2-[4-[(5Z)-3,6,7-trimethylnona-3,5-dien-4-yl]piperidin-1-yl]ethyl]piperidine.

What is the SMILES notation for 4,4-difluoro-1-[2-[4-[(5Z)-3,6,7-trimethylnona-3,5-dien-4-yl]piperidin-1-yl]ethyl]piperidine?

The canonical SMILES for 4,4-difluoro-1-[2-[4-[(5Z)-3,6,7-trimethylnona-3,5-dien-4-yl]piperidin-1-yl]ethyl]piperidine is CCC(C)=C(/C=C(/C)C(C)CC)C1CCN(CCN2CCC(F)(F)CC2)CC1.

What is the InChIKey of 4,4-difluoro-1-[2-[4-[(5Z)-3,6,7-trimethylnona-3,5-dien-4-yl]piperidin-1-yl]ethyl]piperidine?

The InChIKey is QZDRKKZCBZGKSH-RTFHNISQSA-N. The full InChI is InChI=1S/C24H42F2N2/c1-6-19(3)21(5)18-23(20(4)7-2)22-8-12-27(13-9-22)16-17-28-14-10-24(25,26)11-15-28/h18-19,22H,6-17H2,1-5H3/b21-18-,23-20?.

What are the key properties of 4,4-difluoro-1-[2-[4-[(5Z)-3,6,7-trimethylnona-3,5-dien-4-yl]piperidin-1-yl]ethyl]piperidine?

4,4-difluoro-1-[2-[4-[(5Z)-3,6,7-trimethylnona-3,5-dien-4-yl]piperidin-1-yl]ethyl]piperidine has a molecular weight of 396.61 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4-difluoro-1-[2-[4-[(5Z)-3,6,7-trimethylnona-3,5-dien-4-yl]piperidin-1-yl]ethyl]piperidine is sourced from PubChem (CID 176922351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).