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

C12H20N2O — CID 178125088

IUPAC3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile
SMILESCC(C)C1CCN(C2(C#N)COC2)CC1
InChIInChI=1S/C12H20N2O/c1-10(2)11-3-5-14(6-4-11)12(7-13)8-15-9-12/h10-11H,3-6,8-9H2,1-2H3
InChIKeyUAYKWKSHZUKANK-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.65
Rot. Bonds2

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

3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile (PubChem CID 178125088) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile
PubChem CID178125088
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile
SMILESCC(C)C1CCN(C2(C#N)COC2)CC1
InChIInChI=1S/C12H20N2O/c1-10(2)11-3-5-14(6-4-11)12(7-13)8-15-9-12/h10-11H,3-6,8-9H2,1-2H3
InChIKeyUAYKWKSHZUKANK-UHFFFAOYSA-N
XLogP1.65
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]oxetane-3-carbonitrile
CID 172361851
3-(3-Fluoro-4-methylpiperidin-1-yl)oxetane-3-carbonitrile
CID 178124805
3-Fluoro-1-(3-methyloxetan-3-yl)-4-propan-2-ylpiperidine
CID 178124997
3-(3-Fluoro-4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile
CID 178125352
4-Methyl-2-morpholino-2-cyanopentane
CID 43802979
4-Piperidinecarbonitrile, 1-(2-methoxyethyl)-
CID 39236243
1-(Oxetan-3-yl)-4-propan-2-ylpiperidine
CID 58054341
2-[3-(4-Tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile
CID 58394618
2-[3-(4-Propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile
CID 58394761
2-[3-(4-Methylpiperidin-1-yl)oxetan-3-yl]acetonitrile
CID 58395487
2-[3-[(3R,4R)-4-methyl-3-propan-2-ylpiperidin-1-yl]oxetan-3-yl]acetonitrile
CID 67965086
2-[3-(4-Methyl-3-propan-2-ylpiperidin-1-yl)oxetan-3-yl]acetonitrile
CID 67965095

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile?
The IUPAC name of 3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile (CID 178125088) is 3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile.
What is the SMILES notation for 3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile?
The canonical SMILES for 3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile is CC(C)C1CCN(C2(C#N)COC2)CC1.
What is the InChIKey of 3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile?
The InChIKey is UAYKWKSHZUKANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(2)11-3-5-14(6-4-11)12(7-13)8-15-9-12/h10-11H,3-6,8-9H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile?
3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpiperidin-1-yl)oxetane-3-carbonitrile is sourced from PubChem (CID 178125088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).