4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine

C16H33N — CID 58465365

IUPAC4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H33N/c1-14(2,3)13-9-11-17(12-10-13)16(7,8)15(4,5)6/h13H,9-12H2,1-8H3
InChIKeyMVQVUCAKYVXMJC-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.57
Rot. Bonds1

About 4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine

4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine (PubChem CID 58465365) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine
PubChem CID58465365
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H33N/c1-14(2,3)13-9-11-17(12-10-13)16(7,8)15(4,5)6/h13H,9-12H2,1-8H3
InChIKeyMVQVUCAKYVXMJC-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine?
The IUPAC name of 4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine (CID 58465365) is 4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine.
What is the SMILES notation for 4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine?
The canonical SMILES for 4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine is CC(C)(C)C1CCN(C(C)(C)C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine?
The InChIKey is MVQVUCAKYVXMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-14(2,3)13-9-11-17(12-10-13)16(7,8)15(4,5)6/h13H,9-12H2,1-8H3.
What are the key properties of 4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine?
4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine has a molecular weight of 239.45 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine is sourced from PubChem (CID 58465365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).