4-decyl-2,2,6-trimethyl-6-propylpiperidine

C21H43N — CID 126541478

IUPAC4-decyl-2,2,6-trimethyl-6-propylpiperidine
SMILESCCCCCCCCCCC1CC(C)(C)NC(C)(CCC)C1
InChIInChI=1S/C21H43N/c1-6-8-9-10-11-12-13-14-15-19-17-20(3,4)22-21(5,18-19)16-7-2/h19,22H,6-18H2,1-5H3
InChIKeyZZHZXEBFFHVKDU-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.85
Rot. Bonds11

About 4-decyl-2,2,6-trimethyl-6-propylpiperidine

4-decyl-2,2,6-trimethyl-6-propylpiperidine (PubChem CID 126541478) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is 4-decyl-2,2,6-trimethyl-6-propylpiperidine.

Molecular Properties

Compound Name4-decyl-2,2,6-trimethyl-6-propylpiperidine
PubChem CID126541478
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Name4-decyl-2,2,6-trimethyl-6-propylpiperidine
SMILESCCCCCCCCCCC1CC(C)(C)NC(C)(CCC)C1
InChIInChI=1S/C21H43N/c1-6-8-9-10-11-12-13-14-15-19-17-20(3,4)22-21(5,18-19)16-7-2/h19,22H,6-18H2,1-5H3
InChIKeyZZHZXEBFFHVKDU-UHFFFAOYSA-N
XLogP6.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.85
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

4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
2,6-dihexylspiro[3.3]heptane
CID 58679549
2,2-dimethyl-4-pentylpyrrolidine
CID 171473094
CID 11459117
CID 11459117
(4S)-4-butyl-2,2-dimethylpyrrolidine
CID 139399971
1,4-dihexylcyclohexane
CID 22947938
tetradecane;undecylcyclopropane
CID 173215670
octadecane;pentadecylcyclopropane
CID 173301851
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
3-hexylazetidine
CID 79452100
1,1-dimethyl-2-octylcyclopropane
CID 15329257
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994

Frequently Asked Questions

What is the IUPAC name of 4-decyl-2,2,6-trimethyl-6-propylpiperidine?
The IUPAC name of 4-decyl-2,2,6-trimethyl-6-propylpiperidine (CID 126541478) is 4-decyl-2,2,6-trimethyl-6-propylpiperidine.
What is the SMILES notation for 4-decyl-2,2,6-trimethyl-6-propylpiperidine?
The canonical SMILES for 4-decyl-2,2,6-trimethyl-6-propylpiperidine is CCCCCCCCCCC1CC(C)(C)NC(C)(CCC)C1.
What is the InChIKey of 4-decyl-2,2,6-trimethyl-6-propylpiperidine?
The InChIKey is ZZHZXEBFFHVKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-6-8-9-10-11-12-13-14-15-19-17-20(3,4)22-21(5,18-19)16-7-2/h19,22H,6-18H2,1-5H3.
What are the key properties of 4-decyl-2,2,6-trimethyl-6-propylpiperidine?
4-decyl-2,2,6-trimethyl-6-propylpiperidine has a molecular weight of 309.58 g/mol, XLogP of 6.85, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-2,2,6-trimethyl-6-propylpiperidine is sourced from PubChem (CID 126541478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).