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

C16H31NO — CID 126539819

IUPAC4-tert-butyl-4-methyl-1-(oxan-4-ylmethyl)piperidine
SMILESCC(C)(C)C1(C)CCN(CC2CCOCC2)CC1
InChIInChI=1S/C16H31NO/c1-15(2,3)16(4)7-9-17(10-8-16)13-14-5-11-18-12-6-14/h14H,5-13H2,1-4H3
InChIKeyDUSOAPIWWBEWGK-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.56
Rot. Bonds2

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

4-tert-butyl-4-methyl-1-(oxan-4-ylmethyl)piperidine (PubChem CID 126539819) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-tert-butyl-4-methyl-1-(oxan-4-ylmethyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-4-methyl-1-(oxan-4-ylmethyl)piperidine
PubChem CID126539819
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-tert-butyl-4-methyl-1-(oxan-4-ylmethyl)piperidine
SMILESCC(C)(C)C1(C)CCN(CC2CCOCC2)CC1
InChIInChI=1S/C16H31NO/c1-15(2,3)16(4)7-9-17(10-8-16)13-14-5-11-18-12-6-14/h14H,5-13H2,1-4H3
InChIKeyDUSOAPIWWBEWGK-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-methyl-1-(oxan-4-ylmethyl)piperidine?
The IUPAC name of 4-tert-butyl-4-methyl-1-(oxan-4-ylmethyl)piperidine (CID 126539819) is 4-tert-butyl-4-methyl-1-(oxan-4-ylmethyl)piperidine.
What is the SMILES notation for 4-tert-butyl-4-methyl-1-(oxan-4-ylmethyl)piperidine?
The canonical SMILES for 4-tert-butyl-4-methyl-1-(oxan-4-ylmethyl)piperidine is CC(C)(C)C1(C)CCN(CC2CCOCC2)CC1.
What is the InChIKey of 4-tert-butyl-4-methyl-1-(oxan-4-ylmethyl)piperidine?
The InChIKey is DUSOAPIWWBEWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2,3)16(4)7-9-17(10-8-16)13-14-5-11-18-12-6-14/h14H,5-13H2,1-4H3.
What are the key properties of 4-tert-butyl-4-methyl-1-(oxan-4-ylmethyl)piperidine?
4-tert-butyl-4-methyl-1-(oxan-4-ylmethyl)piperidine has a molecular weight of 253.43 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methyl-1-(oxan-4-ylmethyl)piperidine is sourced from PubChem (CID 126539819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).