1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile

C13H22N2O — CID 116521813

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile
SMILESCC1(C)CCC(CN2CCCCC2C#N)O1
InChIInChI=1S/C13H22N2O/c1-13(2)7-6-12(16-13)10-15-8-4-3-5-11(15)9-14/h11-12H,3-8,10H2,1-2H3
InChIKeyZLOFUWXFWJOQAG-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.32
Rot. Bonds2

About 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile

1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile (PubChem CID 116521813) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile
PubChem CID116521813
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile
SMILESCC1(C)CCC(CN2CCCCC2C#N)O1
InChIInChI=1S/C13H22N2O/c1-13(2)7-6-12(16-13)10-15-8-4-3-5-11(15)9-14/h11-12H,3-8,10H2,1-2H3
InChIKeyZLOFUWXFWJOQAG-UHFFFAOYSA-N
XLogP2.32
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 116522866
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 116522147
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 116522148
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 116525659
1-(trimethylsilylmethyl)piperidine-2-carbonitrile
CID 101060523
4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine
CID 116525280
1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile
CID 79165770
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
[1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine
CID 102784429
1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidine-2-carbonitrile
CID 65496491
(5,5-dimethyloxolan-2-yl)methyl thiocyanate
CID 155418417
4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
CID 106838012

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile (CID 116521813) is 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile is CC1(C)CCC(CN2CCCCC2C#N)O1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile?
The InChIKey is ZLOFUWXFWJOQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2)7-6-12(16-13)10-15-8-4-3-5-11(15)9-14/h11-12H,3-8,10H2,1-2H3.
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile?
1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile has a molecular weight of 222.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile is sourced from PubChem (CID 116521813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).