2-[3-(4-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile

C13H22N2O — CID 58394761

IUPAC2-[3-(4-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile
SMILESCC(C)C1CCN(C2(CC#N)COC2)CC1
InChIInChI=1S/C13H22N2O/c1-11(2)12-3-7-15(8-4-12)13(5-6-14)9-16-10-13/h11-12H,3-5,7-10H2,1-2H3
InChIKeyUVKLYSZOZQQYCA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.04
Rot. Bonds3

About 2-[3-(4-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile

2-[3-(4-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile (PubChem CID 58394761) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[3-(4-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(4-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile
PubChem CID58394761
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[3-(4-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile
SMILESCC(C)C1CCN(C2(CC#N)COC2)CC1
InChIInChI=1S/C13H22N2O/c1-11(2)12-3-7-15(8-4-12)13(5-6-14)9-16-10-13/h11-12H,3-5,7-10H2,1-2H3
InChIKeyUVKLYSZOZQQYCA-UHFFFAOYSA-N
XLogP2.04
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile?
The IUPAC name of 2-[3-(4-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile (CID 58394761) is 2-[3-(4-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-(4-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile?
The canonical SMILES for 2-[3-(4-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile is CC(C)C1CCN(C2(CC#N)COC2)CC1.
What is the InChIKey of 2-[3-(4-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile?
The InChIKey is UVKLYSZOZQQYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)12-3-7-15(8-4-12)13(5-6-14)9-16-10-13/h11-12H,3-5,7-10H2,1-2H3.
What are the key properties of 2-[3-(4-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile?
2-[3-(4-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile has a molecular weight of 222.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile is sourced from PubChem (CID 58394761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).