2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile

C14H26N2 — CID 43802873

IUPAC2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile
SMILESCCC(C)CC(C#N)(CC)N1CCCCC1
InChIInChI=1S/C14H26N2/c1-4-13(3)11-14(5-2,12-15)16-9-7-6-8-10-16/h13H,4-11H2,1-3H3
InChIKeyUVMQQWRRACYQKR-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.58
Rot. Bonds5

About 2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile

2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile (PubChem CID 43802873) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile.

Molecular Properties

Compound Name2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile
PubChem CID43802873
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile
SMILESCCC(C)CC(C#N)(CC)N1CCCCC1
InChIInChI=1S/C14H26N2/c1-4-13(3)11-14(5-2,12-15)16-9-7-6-8-10-16/h13H,4-11H2,1-3H3
InChIKeyUVMQQWRRACYQKR-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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile?
The IUPAC name of 2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile (CID 43802873) is 2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile.
What is the SMILES notation for 2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile?
The canonical SMILES for 2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile is CCC(C)CC(C#N)(CC)N1CCCCC1.
What is the InChIKey of 2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile?
The InChIKey is UVMQQWRRACYQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-13(3)11-14(5-2,12-15)16-9-7-6-8-10-16/h13H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile?
2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile 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 2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile is sourced from PubChem (CID 43802873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).