1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine

C14H23N — CID 163798220

IUPAC1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine
SMILESC=CC(C)(C=C)C/C=C/N1CCCCC1
InChIInChI=1S/C14H23N/c1-4-14(3,5-2)10-9-13-15-11-7-6-8-12-15/h4-5,9,13H,1-2,6-8,10-12H2,3H3/b13-9+
InChIKeyNCRGCYYBLARVMB-UKTHLTGXSA-N
MW205.34 g/mol
LogP3.75
Rot. Bonds5

About 1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine

1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine (PubChem CID 163798220) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine.

Molecular Properties

Compound Name1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine
PubChem CID163798220
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine
SMILESC=CC(C)(C=C)C/C=C/N1CCCCC1
InChIInChI=1S/C14H23N/c1-4-14(3,5-2)10-9-13-15-11-7-6-8-12-15/h4-5,9,13H,1-2,6-8,10-12H2,3H3/b13-9+
InChIKeyNCRGCYYBLARVMB-UKTHLTGXSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Butenyl)piperidine
CID 5357943
1-Piperidino-1-pentene
CID 5371371
1-[(E)-hex-1-enyl]piperidine
CID 12794204
1-(Pent-1-en-1-yl)piperidine
CID 579870
1-(1E)-1-Hepten-1-ylpiperidine
CID 10888552
1-[(E)-3-methylbut-1-enyl]piperidine
CID 12499740
1-[(Z)-pent-1-enyl]piperidine
CID 59473835
1-[3-Fluoro-2-(1-fluoroethenyl)-2-methylpent-4-enyl]piperidine
CID 144347486
1-But-1-enylpiperidine
CID 138955
1-[(E)-3,3-dimethylbut-1-enyl]piperidine
CID 12823419
1-[(1E)-penta-1,4-dienyl]piperidine
CID 12927795
1-[(E)-4-methylpent-1-enyl]piperidine
CID 13354324

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine?
The IUPAC name of 1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine (CID 163798220) is 1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine.
What is the SMILES notation for 1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine?
The canonical SMILES for 1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine is C=CC(C)(C=C)C/C=C/N1CCCCC1.
What is the InChIKey of 1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine?
The InChIKey is NCRGCYYBLARVMB-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H23N/c1-4-14(3,5-2)10-9-13-15-11-7-6-8-12-15/h4-5,9,13H,1-2,6-8,10-12H2,3H3/b13-9+.
What are the key properties of 1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine?
1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine has a molecular weight of 205.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-4-ethenyl-4-methylhexa-1,5-dienyl]piperidine is sourced from PubChem (CID 163798220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).