3-tert-butyl-1-(8,8-dimethylnonyl)piperidine

C20H41N — CID 152833336

IUPAC3-tert-butyl-1-(8,8-dimethylnonyl)piperidine
SMILESCC(C)(C)CCCCCCCN1CCCC(C(C)(C)C)C1
InChIInChI=1S/C20H41N/c1-19(2,3)14-10-8-7-9-11-15-21-16-12-13-18(17-21)20(4,5)6/h18H,7-17H2,1-6H3
InChIKeySWQTWLHFWACRON-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.13
Rot. Bonds7

About 3-tert-butyl-1-(8,8-dimethylnonyl)piperidine

3-tert-butyl-1-(8,8-dimethylnonyl)piperidine (PubChem CID 152833336) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is 3-tert-butyl-1-(8,8-dimethylnonyl)piperidine.

Molecular Properties

Compound Name3-tert-butyl-1-(8,8-dimethylnonyl)piperidine
PubChem CID152833336
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name3-tert-butyl-1-(8,8-dimethylnonyl)piperidine
SMILESCC(C)(C)CCCCCCCN1CCCC(C(C)(C)C)C1
InChIInChI=1S/C20H41N/c1-19(2,3)14-10-8-7-9-11-15-21-16-12-13-18(17-21)20(4,5)6/h18H,7-17H2,1-6H3
InChIKeySWQTWLHFWACRON-UHFFFAOYSA-N
XLogP6.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.13
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

7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine
CID 166564865
1-(11,11-dimethyldodecyl)piperidine
CID 118887407
3-(3-tert-butylpiperidin-1-yl)propanenitrile
CID 58395073
3-tert-butyl-1-ethylpiperidine;ethane
CID 155704046
5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 113418984
(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 58573528
1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride
CID 120858200
2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid
CID 83197238
3-tert-butyl-1-prop-2-enylpiperidine
CID 127001155
6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
CID 64826441
3-tert-butyl-1-(3,3-dimethylbutyl)azetidine
CID 138460802
(3S)-3-tert-butyl-1-methylpiperidine
CID 129190972

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(8,8-dimethylnonyl)piperidine?
The IUPAC name of 3-tert-butyl-1-(8,8-dimethylnonyl)piperidine (CID 152833336) is 3-tert-butyl-1-(8,8-dimethylnonyl)piperidine.
What is the SMILES notation for 3-tert-butyl-1-(8,8-dimethylnonyl)piperidine?
The canonical SMILES for 3-tert-butyl-1-(8,8-dimethylnonyl)piperidine is CC(C)(C)CCCCCCCN1CCCC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-(8,8-dimethylnonyl)piperidine?
The InChIKey is SWQTWLHFWACRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-19(2,3)14-10-8-7-9-11-15-21-16-12-13-18(17-21)20(4,5)6/h18H,7-17H2,1-6H3.
What are the key properties of 3-tert-butyl-1-(8,8-dimethylnonyl)piperidine?
3-tert-butyl-1-(8,8-dimethylnonyl)piperidine has a molecular weight of 295.56 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(8,8-dimethylnonyl)piperidine is sourced from PubChem (CID 152833336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).