1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine

C21H43N — CID 171424187

IUPAC1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine
SMILESCC(CC(C)(C)C)CC1(C(C)(C)C)CCN(C(C)(C)C)CC1
InChIInChI=1S/C21H43N/c1-17(15-18(2,3)4)16-21(19(5,6)7)11-13-22(14-12-21)20(8,9)10/h17H,11-16H2,1-10H3
InChIKeyNTJOHHALEQEACQ-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.38
Rot. Bonds3

About 1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine

1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine (PubChem CID 171424187) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is 1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine.

Molecular Properties

Compound Name1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine
PubChem CID171424187
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Name1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine
SMILESCC(CC(C)(C)C)CC1(C(C)(C)C)CCN(C(C)(C)C)CC1
InChIInChI=1S/C21H43N/c1-17(15-18(2,3)4)16-21(19(5,6)7)11-13-22(14-12-21)20(8,9)10/h17H,11-16H2,1-10H3
InChIKeyNTJOHHALEQEACQ-UHFFFAOYSA-N
XLogP6.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-ditert-butyl-4-(3,3-dimethylbutyl)piperidine
CID 171424047
3-tert-butyl-3-(2,4,4-trimethylpentyl)dioxirane
CID 141426039
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
CID 174065957
CID 174065957
1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol
CID 58993905
3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156551247
1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane
CID 157282567
1-tert-butyl-4-ethylpiperidin-4-ol
CID 58889957
3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 59505474
(4-amino-1-tert-butylpiperidin-4-yl)methanol
CID 3742222
7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane
CID 154931410
3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 166020567

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine?
The IUPAC name of 1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine (CID 171424187) is 1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine.
What is the SMILES notation for 1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine?
The canonical SMILES for 1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine is CC(CC(C)(C)C)CC1(C(C)(C)C)CCN(C(C)(C)C)CC1.
What is the InChIKey of 1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine?
The InChIKey is NTJOHHALEQEACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-17(15-18(2,3)4)16-21(19(5,6)7)11-13-22(14-12-21)20(8,9)10/h17H,11-16H2,1-10H3.
What are the key properties of 1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine?
1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine has a molecular weight of 309.58 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-4-(2,4,4-trimethylpentyl)piperidine is sourced from PubChem (CID 171424187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).