4-tert-butyl-1-(oxan-4-ylmethyl)piperidine

C15H29NO — CID 59743823

IUPAC4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
SMILESCC(C)(C)C1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C15H29NO/c1-15(2,3)14-4-8-16(9-5-14)12-13-6-10-17-11-7-13/h13-14H,4-12H2,1-3H3
InChIKeyWHLXZTALQVUTBW-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.17
Rot. Bonds2

About 4-tert-butyl-1-(oxan-4-ylmethyl)piperidine

4-tert-butyl-1-(oxan-4-ylmethyl)piperidine (PubChem CID 59743823) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-tert-butyl-1-(oxan-4-ylmethyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
PubChem CID59743823
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
SMILESCC(C)(C)C1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C15H29NO/c1-15(2,3)14-4-8-16(9-5-14)12-13-6-10-17-11-7-13/h13-14H,4-12H2,1-3H3
InChIKeyWHLXZTALQVUTBW-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(oxan-4-ylmethyl)piperidine?
The IUPAC name of 4-tert-butyl-1-(oxan-4-ylmethyl)piperidine (CID 59743823) is 4-tert-butyl-1-(oxan-4-ylmethyl)piperidine.
What is the SMILES notation for 4-tert-butyl-1-(oxan-4-ylmethyl)piperidine?
The canonical SMILES for 4-tert-butyl-1-(oxan-4-ylmethyl)piperidine is CC(C)(C)C1CCN(CC2CCOCC2)CC1.
What is the InChIKey of 4-tert-butyl-1-(oxan-4-ylmethyl)piperidine?
The InChIKey is WHLXZTALQVUTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(2,3)14-4-8-16(9-5-14)12-13-6-10-17-11-7-13/h13-14H,4-12H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(oxan-4-ylmethyl)piperidine?
4-tert-butyl-1-(oxan-4-ylmethyl)piperidine has a molecular weight of 239.40 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(oxan-4-ylmethyl)piperidine is sourced from PubChem (CID 59743823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).