1-undec-1-en-3-ylpiperidine

C16H31N — CID 101051919

IUPAC1-undec-1-en-3-ylpiperidine
SMILESC=CC(CCCCCCCC)N1CCCCC1
InChIInChI=1S/C16H31N/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h4,16H,2-3,5-15H2,1H3
InChIKeyWZSCWAMSRAPSBH-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.78
Rot. Bonds9

About 1-undec-1-en-3-ylpiperidine

1-undec-1-en-3-ylpiperidine (PubChem CID 101051919) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-undec-1-en-3-ylpiperidine.

Molecular Properties

Compound Name1-undec-1-en-3-ylpiperidine
PubChem CID101051919
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-undec-1-en-3-ylpiperidine
SMILESC=CC(CCCCCCCC)N1CCCCC1
InChIInChI=1S/C16H31N/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h4,16H,2-3,5-15H2,1H3
InChIKeyWZSCWAMSRAPSBH-UHFFFAOYSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Butyl-5-(4-penten-1-yl)indolizidine
CID 195590
2-Ethenyl-1-prop-2-enylpiperidine
CID 10773146
N,N-diisopropyl-10-undecenylamine
CID 101138271
2-Ethenyl-1-methylpiperidine
CID 264794
N-allyl-2-methylpiperidine
CID 13264660
1-Ethyl-2-prop-2-enylpiperidine
CID 85661636
1-Allyl-1-methyl-piperidine
CID 134716119
9-Methyl-9-azabicyclo[3.3.1]non-2-ene
CID 134896609
1-Dodec-11-enylpiperidine
CID 134900809
N-(10-undecenyl)piperidine
CID 23295942
trans-2,6-Diallyl-1,1-dimethylpiperidinium iodide
CID 12967359
cis-2,6-Diallyl-1,1-dimethylpiperidinium iodide
CID 12967361

Frequently Asked Questions

What is the IUPAC name of 1-undec-1-en-3-ylpiperidine?
The IUPAC name of 1-undec-1-en-3-ylpiperidine (CID 101051919) is 1-undec-1-en-3-ylpiperidine.
What is the SMILES notation for 1-undec-1-en-3-ylpiperidine?
The canonical SMILES for 1-undec-1-en-3-ylpiperidine is C=CC(CCCCCCCC)N1CCCCC1.
What is the InChIKey of 1-undec-1-en-3-ylpiperidine?
The InChIKey is WZSCWAMSRAPSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h4,16H,2-3,5-15H2,1H3.
What are the key properties of 1-undec-1-en-3-ylpiperidine?
1-undec-1-en-3-ylpiperidine has a molecular weight of 237.43 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undec-1-en-3-ylpiperidine is sourced from PubChem (CID 101051919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).