1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine

C13H27NO — CID 59522786

IUPAC1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCC(C)(C)OC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27NO/c1-12(2,3)14-9-7-11(8-10-14)15-13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyQITMPDLNIFALNU-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.06
Rot. Bonds1

About 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine

1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine (PubChem CID 59522786) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine
PubChem CID59522786
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCC(C)(C)OC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27NO/c1-12(2,3)14-9-7-11(8-10-14)15-13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyQITMPDLNIFALNU-UHFFFAOYSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine
CID 146549005
1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine
CID 135165028
bis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine)
CID 158787394
1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine
CID 153436977
2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde
CID 87763810
1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine
CID 122502417
1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 58721733
N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxymethanimine
CID 129267612
2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone
CID 58139999
1-tert-butyl-4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidine
CID 146201419
1-tert-butyl-4-methylsulfanylpiperidine
CID 68756349
1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629837

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine?
The IUPAC name of 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine (CID 59522786) is 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine?
The canonical SMILES for 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine is CC(C)(C)OC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine?
The InChIKey is QITMPDLNIFALNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)14-9-7-11(8-10-14)15-13(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine?
1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine has a molecular weight of 213.36 g/mol, XLogP of 3.06, 1 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-methylpropan-2-yl)oxy]piperidine is sourced from PubChem (CID 59522786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).