2,2,6-trimethyl-6-pentylpiperidine

C13H27N — CID 175834394

IUPAC2,2,6-trimethyl-6-pentylpiperidine
SMILESCCCCCC1(C)CCCC(C)(C)N1
InChIInChI=1S/C13H27N/c1-5-6-7-10-13(4)11-8-9-12(2,3)14-13/h14H,5-11H2,1-4H3
InChIKeyKOQGCTLQODSYJJ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.88
Rot. Bonds4

About 2,2,6-trimethyl-6-pentylpiperidine

2,2,6-trimethyl-6-pentylpiperidine (PubChem CID 175834394) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2,2,6-trimethyl-6-pentylpiperidine.

Molecular Properties

Compound Name2,2,6-trimethyl-6-pentylpiperidine
PubChem CID175834394
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2,2,6-trimethyl-6-pentylpiperidine
SMILESCCCCCC1(C)CCCC(C)(C)N1
InChIInChI=1S/C13H27N/c1-5-6-7-10-13(4)11-8-9-12(2,3)14-13/h14H,5-11H2,1-4H3
InChIKeyKOQGCTLQODSYJJ-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-pentylcyclopropane
CID 524644
hexadecanoic acid;2,2,6,6-tetramethylpiperidine
CID 175009118
1,1,2,2-tetra(undecyl)cyclopentane
CID 18757655
2,2,6,6-tetrabutylpiperidine
CID 22415175
magnesium;2,2,6,6-tetramethylpiperidine;chloride
CID 173066007
4-methyl-4-pentylazetidin-2-amine
CID 167502618
1-methyl-1-undecylcyclohexane
CID 86137257
4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine
CID 70378397
1-hexyl-2,2-dimethylcyclopentan-1-amine
CID 79857458
3,3-dimethyl-1-pentylcyclohexan-1-ol
CID 65148962
2-heptyl-2-methyloxolane
CID 66630336
1,1-dipentylcyclononane
CID 169026027

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-6-pentylpiperidine?
The IUPAC name of 2,2,6-trimethyl-6-pentylpiperidine (CID 175834394) is 2,2,6-trimethyl-6-pentylpiperidine.
What is the SMILES notation for 2,2,6-trimethyl-6-pentylpiperidine?
The canonical SMILES for 2,2,6-trimethyl-6-pentylpiperidine is CCCCCC1(C)CCCC(C)(C)N1.
What is the InChIKey of 2,2,6-trimethyl-6-pentylpiperidine?
The InChIKey is KOQGCTLQODSYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-6-7-10-13(4)11-8-9-12(2,3)14-13/h14H,5-11H2,1-4H3.
What are the key properties of 2,2,6-trimethyl-6-pentylpiperidine?
2,2,6-trimethyl-6-pentylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-6-pentylpiperidine is sourced from PubChem (CID 175834394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).