4-(hept-6-enoxymethyl)piperidine

C13H25NO — CID 107007705

IUPAC4-(hept-6-enoxymethyl)piperidine
SMILESC=CCCCCCOCC1CCNCC1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-6-11-15-12-13-7-9-14-10-8-13/h2,13-14H,1,3-12H2
InChIKeyWZMVQUORMRBTLY-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds8

About 4-(hept-6-enoxymethyl)piperidine

4-(hept-6-enoxymethyl)piperidine (PubChem CID 107007705) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-(hept-6-enoxymethyl)piperidine.

Molecular Properties

Compound Name4-(hept-6-enoxymethyl)piperidine
PubChem CID107007705
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-(hept-6-enoxymethyl)piperidine
SMILESC=CCCCCCOCC1CCNCC1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-6-11-15-12-13-7-9-14-10-8-13/h2,13-14H,1,3-12H2
InChIKeyWZMVQUORMRBTLY-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

oct-7-enoxymethylcyclohexane
CID 53248071
12-dodec-11-enoxydodec-1-ene
CID 87325659
3-hept-6-enylpyrrolidine
CID 107010775
3-hept-6-enoxy-4-methylpiperidine
CID 107007754
(3S)-3-hept-6-enoxypiperidine
CID 107007733
[2-(hept-6-enoxymethyl)cyclohexyl]methanamine
CID 107007728
4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine
CID 62340553
piperidin-4-ylmethoxymethylalumane
CID 146804034
3-(hex-5-enoxymethyl)-6-(4-methylphenyl)bicyclo[3.1.0]hexane
CID 88591336
4-[2-(cyclohexylmethoxy)ethyl]piperidine
CID 62383196
1-pyrrolidin-3-ylnon-8-en-2-one
CID 107010907
N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine
CID 141050441

Frequently Asked Questions

What is the IUPAC name of 4-(hept-6-enoxymethyl)piperidine?
The IUPAC name of 4-(hept-6-enoxymethyl)piperidine (CID 107007705) is 4-(hept-6-enoxymethyl)piperidine.
What is the SMILES notation for 4-(hept-6-enoxymethyl)piperidine?
The canonical SMILES for 4-(hept-6-enoxymethyl)piperidine is C=CCCCCCOCC1CCNCC1.
What is the InChIKey of 4-(hept-6-enoxymethyl)piperidine?
The InChIKey is WZMVQUORMRBTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-4-5-6-11-15-12-13-7-9-14-10-8-13/h2,13-14H,1,3-12H2.
What are the key properties of 4-(hept-6-enoxymethyl)piperidine?
4-(hept-6-enoxymethyl)piperidine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hept-6-enoxymethyl)piperidine is sourced from PubChem (CID 107007705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).