3-tert-butyl-5-[5-(6-tert-butyloxan-2-yl)-2,5-dimethylhexan-2-yl]piperidine

C26H51NO — CID 166904825

IUPAC3-tert-butyl-5-[5-(6-tert-butyloxan-2-yl)-2,5-dimethylhexan-2-yl]piperidine
SMILESCC(C)(C)C1CNCC(C(C)(C)CCC(C)(C)C2CCCC(C(C)(C)C)O2)C1
InChIInChI=1S/C26H51NO/c1-23(2,3)19-16-20(18-27-17-19)25(7,8)14-15-26(9,10)22-13-11-12-21(28-22)24(4,5)6/h19-22,27H,11-18H2,1-10H3
InChIKeySDZRJALREMWFDK-UHFFFAOYSA-N
MW393.70 g/mol
LogP7.07
Rot. Bonds5

About 3-tert-butyl-5-[5-(6-tert-butyloxan-2-yl)-2,5-dimethylhexan-2-yl]piperidine

3-tert-butyl-5-[5-(6-tert-butyloxan-2-yl)-2,5-dimethylhexan-2-yl]piperidine (PubChem CID 166904825) has the molecular formula C26H51NO and a molecular weight of 393.70 g/mol. Its IUPAC name is 3-tert-butyl-5-[5-(6-tert-butyloxan-2-yl)-2,5-dimethylhexan-2-yl]piperidine.

Molecular Properties

Compound Name3-tert-butyl-5-[5-(6-tert-butyloxan-2-yl)-2,5-dimethylhexan-2-yl]piperidine
PubChem CID166904825
Molecular FormulaC26H51NO
Molecular Weight393.70 g/mol
Exact Mass393.40
IUPAC Name3-tert-butyl-5-[5-(6-tert-butyloxan-2-yl)-2,5-dimethylhexan-2-yl]piperidine
SMILESCC(C)(C)C1CNCC(C(C)(C)CCC(C)(C)C2CCCC(C(C)(C)C)O2)C1
InChIInChI=1S/C26H51NO/c1-23(2,3)19-16-20(18-27-17-19)25(7,8)14-15-26(9,10)22-13-11-12-21(28-22)24(4,5)6/h19-22,27H,11-18H2,1-10H3
InChIKeySDZRJALREMWFDK-UHFFFAOYSA-N
XLogP7.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[5-(6-tert-butyloxan-2-yl)-2,5-dimethylhexan-2-yl]piperidine?
The IUPAC name of 3-tert-butyl-5-[5-(6-tert-butyloxan-2-yl)-2,5-dimethylhexan-2-yl]piperidine (CID 166904825) is 3-tert-butyl-5-[5-(6-tert-butyloxan-2-yl)-2,5-dimethylhexan-2-yl]piperidine.
What is the SMILES notation for 3-tert-butyl-5-[5-(6-tert-butyloxan-2-yl)-2,5-dimethylhexan-2-yl]piperidine?
The canonical SMILES for 3-tert-butyl-5-[5-(6-tert-butyloxan-2-yl)-2,5-dimethylhexan-2-yl]piperidine is CC(C)(C)C1CNCC(C(C)(C)CCC(C)(C)C2CCCC(C(C)(C)C)O2)C1.
What is the InChIKey of 3-tert-butyl-5-[5-(6-tert-butyloxan-2-yl)-2,5-dimethylhexan-2-yl]piperidine?
The InChIKey is SDZRJALREMWFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO/c1-23(2,3)19-16-20(18-27-17-19)25(7,8)14-15-26(9,10)22-13-11-12-21(28-22)24(4,5)6/h19-22,27H,11-18H2,1-10H3.
What are the key properties of 3-tert-butyl-5-[5-(6-tert-butyloxan-2-yl)-2,5-dimethylhexan-2-yl]piperidine?
3-tert-butyl-5-[5-(6-tert-butyloxan-2-yl)-2,5-dimethylhexan-2-yl]piperidine has a molecular weight of 393.70 g/mol, XLogP of 7.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[5-(6-tert-butyloxan-2-yl)-2,5-dimethylhexan-2-yl]piperidine is sourced from PubChem (CID 166904825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).