1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile

C24H43N3O2 — CID 178125087

IUPAC1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile
SMILESCC(C)C1CCN(C2(C#N)COC2)CC1.CC(C)C1CCN(C2(C)COC2)CC1
InChIInChI=1S/C12H20N2O.C12H23NO/c1-10(2)11-3-5-14(6-4-11)12(7-13)8-15-9-12;1-10(2)11-4-6-13(7-5-11)12(3)8-14-9-12/h10-11H,3-6,8-9H2,1-2H3;10-11H,4-9H2,1-3H3
InChIKeyUVKDVJVFLBJNKY-UHFFFAOYSA-N
MW405.63 g/mol
LogP3.79
Rot. Bonds4

About 1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile

1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile (PubChem CID 178125087) has the molecular formula C24H43N3O2 and a molecular weight of 405.63 g/mol. Its IUPAC name is 1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile.

Molecular Properties

Compound Name1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile
PubChem CID178125087
Molecular FormulaC24H43N3O2
Molecular Weight405.63 g/mol
Exact Mass405.34
IUPAC Name1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile
SMILESCC(C)C1CCN(C2(C#N)COC2)CC1.CC(C)C1CCN(C2(C)COC2)CC1
InChIInChI=1S/C12H20N2O.C12H23NO/c1-10(2)11-3-5-14(6-4-11)12(7-13)8-15-9-12;1-10(2)11-4-6-13(7-5-11)12(3)8-14-9-12/h10-11H,3-6,8-9H2,1-2H3;10-11H,4-9H2,1-3H3
InChIKeyUVKDVJVFLBJNKY-UHFFFAOYSA-N
XLogP3.79
TPSA48.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.63
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile with MolForge

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Related Compounds

1-(Cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 159227572
4-Fluoro-4-methyl-1-(oxetan-3-yl)piperidine;4-methyl-1-(oxetan-3-yl)piperidine
CID 159458731
4-Tert-butyl-1-(oxetan-3-yl)piperidine;1-tert-butylpiperidine;methane
CID 159485206
3-(4-Propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile
CID 178125088

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile?
The IUPAC name of 1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile (CID 178125087) is 1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile.
What is the SMILES notation for 1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile?
The canonical SMILES for 1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile is CC(C)C1CCN(C2(C#N)COC2)CC1.CC(C)C1CCN(C2(C)COC2)CC1.
What is the InChIKey of 1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile?
The InChIKey is UVKDVJVFLBJNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.C12H23NO/c1-10(2)11-3-5-14(6-4-11)12(7-13)8-15-9-12;1-10(2)11-4-6-13(7-5-11)12(3)8-14-9-12/h10-11H,3-6,8-9H2,1-2H3;10-11H,4-9H2,1-3H3.
What are the key properties of 1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile?
1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile has a molecular weight of 405.63 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine;3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile is sourced from PubChem (CID 178125087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).