4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine

C20H33N — CID 153484507

IUPAC4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine
SMILESCC(C)(C)c1cccc(CN2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C20H33N/c1-19(2,3)17-10-12-21(13-11-17)15-16-8-7-9-18(14-16)20(4,5)6/h7-9,14,17H,10-13,15H2,1-6H3
InChIKeyGASLAGXSYNJZSG-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.24
Rot. Bonds2

About 4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine

4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine (PubChem CID 153484507) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine
PubChem CID153484507
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine
SMILESCC(C)(C)c1cccc(CN2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C20H33N/c1-19(2,3)17-10-12-21(13-11-17)15-16-8-7-9-18(14-16)20(4,5)6/h7-9,14,17H,10-13,15H2,1-6H3
InChIKeyGASLAGXSYNJZSG-UHFFFAOYSA-N
XLogP5.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-[(4-tert-butylazepan-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103998331
(1-benzylpiperidin-4-yl)-diphenylmethanamine
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4-tert-butyl-1-[(4-methylsulfonylphenyl)methyl]piperidine
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1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine?
The IUPAC name of 4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine (CID 153484507) is 4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine.
What is the SMILES notation for 4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine?
The canonical SMILES for 4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine is CC(C)(C)c1cccc(CN2CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of 4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine?
The InChIKey is GASLAGXSYNJZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-19(2,3)17-10-12-21(13-11-17)15-16-8-7-9-18(14-16)20(4,5)6/h7-9,14,17H,10-13,15H2,1-6H3.
What are the key properties of 4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine?
4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine has a molecular weight of 287.49 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine is sourced from PubChem (CID 153484507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).