2,2,6,6-tetrabutylpiperidine

C21H43N — CID 22415175

IUPAC2,2,6,6-tetrabutylpiperidine
SMILESCCCCC1(CCCC)CCCC(CCCC)(CCCC)N1
InChIInChI=1S/C21H43N/c1-5-9-14-20(15-10-6-2)18-13-19-21(22-20,16-11-7-3)17-12-8-4/h22H,5-19H2,1-4H3
InChIKeyGCTDRHCWRZRLMA-UHFFFAOYSA-N
MW309.58 g/mol
LogP7.00
Rot. Bonds12

About 2,2,6,6-tetrabutylpiperidine

2,2,6,6-tetrabutylpiperidine (PubChem CID 22415175) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is 2,2,6,6-tetrabutylpiperidine.

Molecular Properties

Compound Name2,2,6,6-tetrabutylpiperidine
PubChem CID22415175
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Name2,2,6,6-tetrabutylpiperidine
SMILESCCCCC1(CCCC)CCCC(CCCC)(CCCC)N1
InChIInChI=1S/C21H43N/c1-5-9-14-20(15-10-6-2)18-13-19-21(22-20,16-11-7-3)17-12-8-4/h22H,5-19H2,1-4H3
InChIKeyGCTDRHCWRZRLMA-UHFFFAOYSA-N
XLogP7.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-2-hexylpyrrolidine
CID 174534205
2-butyl-2-(2-methylpropyl)pyrrolidine
CID 66467900
2,2,7,7-tetraethylazepane
CID 141391729
2-ethyl-2-pentylazepane
CID 79116798
2,2,3,3-tetrabutylaziridine
CID 87703412
(1-butylcyclobutyl)methanol
CID 12786214
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
2,2,6-trimethyl-6-pentylpiperidine
CID 175834394
1,1,2,2-tetra(undecyl)cyclopentane
CID 18757655
1-butyl-N-ethylcyclohexan-1-amine
CID 581106
2,2-dipropylpyrrolidine
CID 13332418
1-butylcyclohexan-1-amine
CID 13182498

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetrabutylpiperidine?
The IUPAC name of 2,2,6,6-tetrabutylpiperidine (CID 22415175) is 2,2,6,6-tetrabutylpiperidine.
What is the SMILES notation for 2,2,6,6-tetrabutylpiperidine?
The canonical SMILES for 2,2,6,6-tetrabutylpiperidine is CCCCC1(CCCC)CCCC(CCCC)(CCCC)N1.
What is the InChIKey of 2,2,6,6-tetrabutylpiperidine?
The InChIKey is GCTDRHCWRZRLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-5-9-14-20(15-10-6-2)18-13-19-21(22-20,16-11-7-3)17-12-8-4/h22H,5-19H2,1-4H3.
What are the key properties of 2,2,6,6-tetrabutylpiperidine?
2,2,6,6-tetrabutylpiperidine has a molecular weight of 309.58 g/mol, XLogP of 7.00, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetrabutylpiperidine is sourced from PubChem (CID 22415175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).