1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine

C16H33N — CID 176842011

IUPAC1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine
SMILESCC(CC1CCCN(C(C)(C)C)C1)C(C)(C)C
InChIInChI=1S/C16H33N/c1-13(15(2,3)4)11-14-9-8-10-17(12-14)16(5,6)7/h13-14H,8-12H2,1-7H3
InChIKeyIZDKFCOPNPPZGC-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.57
Rot. Bonds2

About 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine

1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine (PubChem CID 176842011) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine
PubChem CID176842011
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine
SMILESCC(CC1CCCN(C(C)(C)C)C1)C(C)(C)C
InChIInChI=1S/C16H33N/c1-13(15(2,3)4)11-14-9-8-10-17(12-14)16(5,6)7/h13-14H,8-12H2,1-7H3
InChIKeyIZDKFCOPNPPZGC-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine?
The IUPAC name of 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine (CID 176842011) is 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine.
What is the SMILES notation for 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine?
The canonical SMILES for 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine is CC(CC1CCCN(C(C)(C)C)C1)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine?
The InChIKey is IZDKFCOPNPPZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-13(15(2,3)4)11-14-9-8-10-17(12-14)16(5,6)7/h13-14H,8-12H2,1-7H3.
What are the key properties of 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine?
1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine has a molecular weight of 239.45 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine is sourced from PubChem (CID 176842011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).