4-tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane

C22H46N2O — CID 159485206

IUPAC4-tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane
SMILESC.CC(C)(C)C1CCN(C2COC2)CC1.CC(C)(C)N1CCCCC1
InChIInChI=1S/C12H23NO.C9H19N.CH4/c1-12(2,3)10-4-6-13(7-5-10)11-8-14-9-11;1-9(2,3)10-7-5-4-6-8-10;/h10-11H,4-9H2,1-3H3;4-8H2,1-3H3;1H4
InChIKeyLXMLJHPAZGPVQL-UHFFFAOYSA-N
MW354.62 g/mol
LogP5.05
Rot. Bonds1

About 4-tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane

4-tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane (PubChem CID 159485206) has the molecular formula C22H46N2O and a molecular weight of 354.62 g/mol. Its IUPAC name is 4-tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane.

Molecular Properties

Compound Name4-tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane
PubChem CID159485206
Molecular FormulaC22H46N2O
Molecular Weight354.62 g/mol
Exact Mass354.36
IUPAC Name4-tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane
SMILESC.CC(C)(C)C1CCN(C2COC2)CC1.CC(C)(C)N1CCCCC1
InChIInChI=1S/C12H23NO.C9H19N.CH4/c1-12(2,3)10-4-6-13(7-5-10)11-8-14-9-11;1-9(2,3)10-7-5-4-6-8-10;/h10-11H,4-9H2,1-3H3;4-8H2,1-3H3;1H4
InChIKeyLXMLJHPAZGPVQL-UHFFFAOYSA-N
XLogP5.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine
CID 130368590
3-Fluoro-1-[2-methyl-2-[1-(oxetan-3-yl)piperidin-4-yl]propyl]-4-propan-2-ylpiperidine
CID 169564687
4-(2,3,3,4-Tetramethyl-5-morpholin-4-ylpentyl)morpholine
CID 135070776
4-(2,3,3-Trimethyl-6-morpholin-4-ylhexyl)morpholine
CID 135070777
1-[2-[(2,6-Diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine
CID 21359040
4-Tert-butyl-1-(oxetan-3-yl)piperidine
CID 58395210
4-[3-(3-Tert-butylpiperidin-1-yl)propyl]morpholine
CID 70646144
4-Methyl-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 124099214
4-[2-[1-[1-(1-Propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine
CID 126486902
4-[1-(1-Tert-butylpiperidin-4-yl)propan-2-yl]morpholine
CID 126620965
4-[3-[1-(2,2-Dimethylpropyl)piperidin-4-yl]-2,2-dimethylpropyl]morpholine
CID 126657942
4-[[(1R,3R)-2,2-dimethyl-3-(2-piperidin-1-ylethyl)cyclobutyl]methyl]morpholine
CID 129015792

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane?
The IUPAC name of 4-tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane (CID 159485206) is 4-tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane.
What is the SMILES notation for 4-tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane?
The canonical SMILES for 4-tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane is C.CC(C)(C)C1CCN(C2COC2)CC1.CC(C)(C)N1CCCCC1.
What is the InChIKey of 4-tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane?
The InChIKey is LXMLJHPAZGPVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C9H19N.CH4/c1-12(2,3)10-4-6-13(7-5-10)11-8-14-9-11;1-9(2,3)10-7-5-4-6-8-10;/h10-11H,4-9H2,1-3H3;4-8H2,1-3H3;1H4.
What are the key properties of 4-tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane?
4-tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane has a molecular weight of 354.62 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane is sourced from PubChem (CID 159485206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).