4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile

C13H25N3 — CID 63159348

IUPAC4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile
SMILESCCC1(C)CCN(CCC(C#N)NC)CC1
InChIInChI=1S/C13H25N3/c1-4-13(2)6-9-16(10-7-13)8-5-12(11-14)15-3/h12,15H,4-10H2,1-3H3
InChIKeyGDIKGTSELRBVIM-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.00
Rot. Bonds5

About 4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile

4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile (PubChem CID 63159348) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile.

Molecular Properties

Compound Name4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile
PubChem CID63159348
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile
SMILESCCC1(C)CCN(CCC(C#N)NC)CC1
InChIInChI=1S/C13H25N3/c1-4-13(2)6-9-16(10-7-13)8-5-12(11-14)15-3/h12,15H,4-10H2,1-3H3
InChIKeyGDIKGTSELRBVIM-UHFFFAOYSA-N
XLogP2.00
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile?
The IUPAC name of 4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile (CID 63159348) is 4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile.
What is the SMILES notation for 4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile?
The canonical SMILES for 4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile is CCC1(C)CCN(CCC(C#N)NC)CC1.
What is the InChIKey of 4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile?
The InChIKey is GDIKGTSELRBVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-13(2)6-9-16(10-7-13)8-5-12(11-14)15-3/h12,15H,4-10H2,1-3H3.
What are the key properties of 4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile?
4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile has a molecular weight of 223.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile is sourced from PubChem (CID 63159348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).