5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile

C14H26N2 — CID 65257728

IUPAC5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
SMILESCCC1CCCCN1CCCC(C)(C)C#N
InChIInChI=1S/C14H26N2/c1-4-13-8-5-6-10-16(13)11-7-9-14(2,3)12-15/h13H,4-11H2,1-3H3
InChIKeyHILMSZACMLMWLD-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.58
Rot. Bonds5

About 5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile

5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile (PubChem CID 65257728) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
PubChem CID65257728
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
SMILESCCC1CCCCN1CCCC(C)(C)C#N
InChIInChI=1S/C14H26N2/c1-4-13-8-5-6-10-16(13)11-7-9-14(2,3)12-15/h13H,4-11H2,1-3H3
InChIKeyHILMSZACMLMWLD-UHFFFAOYSA-N
XLogP3.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile
CID 106710103
6-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile
CID 106714588
2,2-dimethyl-6-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]hexanenitrile
CID 106714587
4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251751
2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile
CID 106802748
2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062210
1-dodecyl-2-ethylpiperidine
CID 171569899
N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine
CID 104689524
5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile
CID 103441934
2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692385
2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062285
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile (CID 65257728) is 5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile is CCC1CCCCN1CCCC(C)(C)C#N.
What is the InChIKey of 5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile?
The InChIKey is HILMSZACMLMWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-13-8-5-6-10-16(13)11-7-9-14(2,3)12-15/h13H,4-11H2,1-3H3.
What are the key properties of 5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile?
5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile has a molecular weight of 222.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65257728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).