1-tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine

C18H35NO — CID 129213662

IUPAC1-tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine
SMILESCC(C)(CC1CCN(C(C)(C)C)CC1)C1CCOCC1
InChIInChI=1S/C18H35NO/c1-17(2,3)19-10-6-15(7-11-19)14-18(4,5)16-8-12-20-13-9-16/h15-16H,6-14H2,1-5H3
InChIKeyYIJVJWJEDHYIKG-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.34
Rot. Bonds3

About 1-tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine

1-tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine (PubChem CID 129213662) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine
PubChem CID129213662
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine
SMILESCC(C)(CC1CCN(C(C)(C)C)CC1)C1CCOCC1
InChIInChI=1S/C18H35NO/c1-17(2,3)19-10-6-15(7-11-19)14-18(4,5)16-8-12-20-13-9-16/h15-16H,6-14H2,1-5H3
InChIKeyYIJVJWJEDHYIKG-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine?
The IUPAC name of 1-tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine (CID 129213662) is 1-tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine is CC(C)(CC1CCN(C(C)(C)C)CC1)C1CCOCC1.
What is the InChIKey of 1-tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine?
The InChIKey is YIJVJWJEDHYIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-17(2,3)19-10-6-15(7-11-19)14-18(4,5)16-8-12-20-13-9-16/h15-16H,6-14H2,1-5H3.
What are the key properties of 1-tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine?
1-tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine has a molecular weight of 281.48 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine is sourced from PubChem (CID 129213662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).