4-tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine

C25H49NO — CID 146352751

IUPAC4-tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine
SMILESCC(C)(C)C(C1COC1)C(C)(C)CCC(C)(C)C1(C(C)(C)C)CCNCC1
InChIInChI=1S/C25H49NO/c1-21(2,3)20(19-17-27-18-19)23(7,8)11-12-24(9,10)25(22(4,5)6)13-15-26-16-14-25/h19-20,26H,11-18H2,1-10H3
InChIKeyLKYMWEJACHHCJE-UHFFFAOYSA-N
MW379.67 g/mol
LogP6.54
Rot. Bonds6

About 4-tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine

4-tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine (PubChem CID 146352751) has the molecular formula C25H49NO and a molecular weight of 379.67 g/mol. Its IUPAC name is 4-tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine
PubChem CID146352751
Molecular FormulaC25H49NO
Molecular Weight379.67 g/mol
Exact Mass379.38
IUPAC Name4-tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine
SMILESCC(C)(C)C(C1COC1)C(C)(C)CCC(C)(C)C1(C(C)(C)C)CCNCC1
InChIInChI=1S/C25H49NO/c1-21(2,3)20(19-17-27-18-19)23(7,8)11-12-24(9,10)25(22(4,5)6)13-15-26-16-14-25/h19-20,26H,11-18H2,1-10H3
InChIKeyLKYMWEJACHHCJE-UHFFFAOYSA-N
XLogP6.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.67
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine?
The IUPAC name of 4-tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine (CID 146352751) is 4-tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine.
What is the SMILES notation for 4-tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine?
The canonical SMILES for 4-tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine is CC(C)(C)C(C1COC1)C(C)(C)CCC(C)(C)C1(C(C)(C)C)CCNCC1.
What is the InChIKey of 4-tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine?
The InChIKey is LKYMWEJACHHCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49NO/c1-21(2,3)20(19-17-27-18-19)23(7,8)11-12-24(9,10)25(22(4,5)6)13-15-26-16-14-25/h19-20,26H,11-18H2,1-10H3.
What are the key properties of 4-tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine?
4-tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine has a molecular weight of 379.67 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine is sourced from PubChem (CID 146352751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).