3-hept-6-enoxy-4-methylpiperidine

C13H25NO — CID 107007754

IUPAC3-hept-6-enoxy-4-methylpiperidine
SMILESC=CCCCCCOC1CNCCC1C
InChIInChI=1S/C13H25NO/c1-3-4-5-6-7-10-15-13-11-14-9-8-12(13)2/h3,12-14H,1,4-11H2,2H3
InChIKeyVQPKKZKKRFDVON-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds7

About 3-hept-6-enoxy-4-methylpiperidine

3-hept-6-enoxy-4-methylpiperidine (PubChem CID 107007754) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-hept-6-enoxy-4-methylpiperidine.

Molecular Properties

Compound Name3-hept-6-enoxy-4-methylpiperidine
PubChem CID107007754
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-hept-6-enoxy-4-methylpiperidine
SMILESC=CCCCCCOC1CNCCC1C
InChIInChI=1S/C13H25NO/c1-3-4-5-6-7-10-15-13-11-14-9-8-12(13)2/h3,12-14H,1,4-11H2,2H3
InChIKeyVQPKKZKKRFDVON-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

4-methyl-3-octoxypiperidine
CID 102954063
(3S)-3-hept-6-enoxypiperidine
CID 107007733
4-methyl-3-(3-phenoxypropoxy)piperidine
CID 102954189
2-[2-(4-methylpiperidin-3-yl)oxyethoxy]ethanol
CID 106939216
4-(hept-6-enoxymethyl)piperidine
CID 107007705
3-hept-6-enylpyrrolidine
CID 107010775
3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine
CID 102954054
(3R)-3,4-bis(tetradec-9-enoxy)pyrrolidine
CID 123532636
(3R,4R)-3-ethenyl-4-methylpiperidine
CID 142007594
N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine
CID 141050441
12-dodec-11-enoxydodec-1-ene
CID 87325659
1-(4-methylpiperidin-3-yl)oxy-3-propan-2-yloxypropan-2-ol
CID 106941145

Frequently Asked Questions

What is the IUPAC name of 3-hept-6-enoxy-4-methylpiperidine?
The IUPAC name of 3-hept-6-enoxy-4-methylpiperidine (CID 107007754) is 3-hept-6-enoxy-4-methylpiperidine.
What is the SMILES notation for 3-hept-6-enoxy-4-methylpiperidine?
The canonical SMILES for 3-hept-6-enoxy-4-methylpiperidine is C=CCCCCCOC1CNCCC1C.
What is the InChIKey of 3-hept-6-enoxy-4-methylpiperidine?
The InChIKey is VQPKKZKKRFDVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-5-6-7-10-15-13-11-14-9-8-12(13)2/h3,12-14H,1,4-11H2,2H3.
What are the key properties of 3-hept-6-enoxy-4-methylpiperidine?
3-hept-6-enoxy-4-methylpiperidine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-6-enoxy-4-methylpiperidine is sourced from PubChem (CID 107007754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).