1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile

C15H28N2O — CID 114284241

IUPAC1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile
SMILESCCOC1(C#N)CCN(CCCC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O/c1-5-18-15(13-16)8-11-17(12-9-15)10-6-7-14(2,3)4/h5-12H2,1-4H3
InChIKeyATKNYLMNJZWFOP-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.21
Rot. Bonds5

About 1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile

1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile (PubChem CID 114284241) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile
PubChem CID114284241
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile
SMILESCCOC1(C#N)CCN(CCCC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O/c1-5-18-15(13-16)8-11-17(12-9-15)10-6-7-14(2,3)4/h5-12H2,1-4H3
InChIKeyATKNYLMNJZWFOP-UHFFFAOYSA-N
XLogP3.21
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile
CID 114284237
4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine
CID 156551220
1-ethyl-4-methoxypiperidine-4-carbonitrile
CID 130519331
1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile
CID 22972962
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile
CID 103993940
5-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254542
1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
CID 134488975
1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile
CID 80698814
6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine
CID 65295886
1-(11,11-dimethyldodecyl)piperidine
CID 118887407
5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 55157283

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile?
The IUPAC name of 1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile (CID 114284241) is 1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile.
What is the SMILES notation for 1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile?
The canonical SMILES for 1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile is CCOC1(C#N)CCN(CCCC(C)(C)C)CC1.
What is the InChIKey of 1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile?
The InChIKey is ATKNYLMNJZWFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-18-15(13-16)8-11-17(12-9-15)10-6-7-14(2,3)4/h5-12H2,1-4H3.
What are the key properties of 1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile?
1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile has a molecular weight of 252.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile is sourced from PubChem (CID 114284241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).