1-ethyl-4,4-dimethylpiperidine-3-carbonitrile

C10H18N2 — CID 117025384

IUPAC1-ethyl-4,4-dimethylpiperidine-3-carbonitrile
SMILESCCN1CCC(C)(C)C(C#N)C1
InChIInChI=1S/C10H18N2/c1-4-12-6-5-10(2,3)9(7-11)8-12/h9H,4-6,8H2,1-3H3
InChIKeyTYAQCWBSMFJYSI-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.88
Rot. Bonds1

About 1-ethyl-4,4-dimethylpiperidine-3-carbonitrile

1-ethyl-4,4-dimethylpiperidine-3-carbonitrile (PubChem CID 117025384) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-ethyl-4,4-dimethylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4,4-dimethylpiperidine-3-carbonitrile
PubChem CID117025384
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-ethyl-4,4-dimethylpiperidine-3-carbonitrile
SMILESCCN1CCC(C)(C)C(C#N)C1
InChIInChI=1S/C10H18N2/c1-4-12-6-5-10(2,3)9(7-11)8-12/h9H,4-6,8H2,1-3H3
InChIKeyTYAQCWBSMFJYSI-UHFFFAOYSA-N
XLogP1.88
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2,2,8,8-tetramethyl-10-oxa-5-azabicyclo[7.1.0]decane
CID 91349138
1-ethyl-4,4-dimethylpiperidine;hydrate
CID 178113144
3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane
CID 90707566
1-ethyl-3,4-dimethylpiperidin-4-ol
CID 54248940
1-ethyl-4-hydroxypiperidine-4-carbonitrile
CID 43436600
2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile
CID 62732365
1-ethyl-4,4-difluoropiperidin-3-ol
CID 130634849
2-(4-ethylmorpholin-2-yl)acetonitrile
CID 79164435
[(3R)-1-ethyl-4,4-difluoropiperidin-3-yl]phosphane
CID 174264008
1-ethyl-4-methoxypiperidine-4-carbonitrile
CID 130519331
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
3-amino-1-ethylpyrrolidine-3-carbonitrile
CID 117012936

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,4-dimethylpiperidine-3-carbonitrile?
The IUPAC name of 1-ethyl-4,4-dimethylpiperidine-3-carbonitrile (CID 117025384) is 1-ethyl-4,4-dimethylpiperidine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-4,4-dimethylpiperidine-3-carbonitrile?
The canonical SMILES for 1-ethyl-4,4-dimethylpiperidine-3-carbonitrile is CCN1CCC(C)(C)C(C#N)C1.
What is the InChIKey of 1-ethyl-4,4-dimethylpiperidine-3-carbonitrile?
The InChIKey is TYAQCWBSMFJYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-12-6-5-10(2,3)9(7-11)8-12/h9H,4-6,8H2,1-3H3.
What are the key properties of 1-ethyl-4,4-dimethylpiperidine-3-carbonitrile?
1-ethyl-4,4-dimethylpiperidine-3-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,4-dimethylpiperidine-3-carbonitrile is sourced from PubChem (CID 117025384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).