4-ethyl-2-heptyl-1,6-dimethylpiperidine

C16H33N — CID 22754520

IUPAC4-ethyl-2-heptyl-1,6-dimethylpiperidine
SMILESCCCCCCCC1CC(CC)CC(C)N1C
InChIInChI=1S/C16H33N/c1-5-7-8-9-10-11-16-13-15(6-2)12-14(3)17(16)4/h14-16H,5-13H2,1-4H3
InChIKeyIMBJLDUKTUXATF-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.86
Rot. Bonds7

About 4-ethyl-2-heptyl-1,6-dimethylpiperidine

4-ethyl-2-heptyl-1,6-dimethylpiperidine (PubChem CID 22754520) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 4-ethyl-2-heptyl-1,6-dimethylpiperidine.

Molecular Properties

Compound Name4-ethyl-2-heptyl-1,6-dimethylpiperidine
PubChem CID22754520
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name4-ethyl-2-heptyl-1,6-dimethylpiperidine
SMILESCCCCCCCC1CC(CC)CC(C)N1C
InChIInChI=1S/C16H33N/c1-5-7-8-9-10-11-16-13-15(6-2)12-14(3)17(16)4/h14-16H,5-13H2,1-4H3
InChIKeyIMBJLDUKTUXATF-UHFFFAOYSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-heptyl-1,2-dimethylpyrrolidine
CID 177227057
(2R,4R,6R)-4-ethyl-1,6-dimethylpiperidin-2-ol
CID 125449850
(2R,4R)-1-butyl-2-hexyl-4-methylpyrrolidine
CID 131845382
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
1-methyl-2-pentadecylcyclopropane
CID 54385825
1-methyl-2-tetradecylpyrrolidine
CID 24796983
2-heptyl-5-hex-5-enyl-1-methylpyrrolidine
CID 597281
octadecane;pentadecylcyclopropane
CID 173301851
1,4-dihexylcyclohexane
CID 22947938
1-hexyl-2-undecylcyclopropane
CID 58049498
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
tetradecane;undecylcyclopropane
CID 173215670

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-heptyl-1,6-dimethylpiperidine?
The IUPAC name of 4-ethyl-2-heptyl-1,6-dimethylpiperidine (CID 22754520) is 4-ethyl-2-heptyl-1,6-dimethylpiperidine.
What is the SMILES notation for 4-ethyl-2-heptyl-1,6-dimethylpiperidine?
The canonical SMILES for 4-ethyl-2-heptyl-1,6-dimethylpiperidine is CCCCCCCC1CC(CC)CC(C)N1C.
What is the InChIKey of 4-ethyl-2-heptyl-1,6-dimethylpiperidine?
The InChIKey is IMBJLDUKTUXATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-5-7-8-9-10-11-16-13-15(6-2)12-14(3)17(16)4/h14-16H,5-13H2,1-4H3.
What are the key properties of 4-ethyl-2-heptyl-1,6-dimethylpiperidine?
4-ethyl-2-heptyl-1,6-dimethylpiperidine has a molecular weight of 239.45 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-heptyl-1,6-dimethylpiperidine is sourced from PubChem (CID 22754520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).