2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile

C13H25N3O — CID 107394626

IUPAC2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile
SMILESCCNC(C#N)CCN1CCCC(C)(OC)C1
InChIInChI=1S/C13H25N3O/c1-4-15-12(10-14)6-9-16-8-5-7-13(2,11-16)17-3/h12,15H,4-9,11H2,1-3H3
InChIKeyWCIBHUMUSAIBMQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.38
Rot. Bonds6

About 2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile

2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile (PubChem CID 107394626) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile
PubChem CID107394626
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile
SMILESCCNC(C#N)CCN1CCCC(C)(OC)C1
InChIInChI=1S/C13H25N3O/c1-4-15-12(10-14)6-9-16-8-5-7-13(2,11-16)17-3/h12,15H,4-9,11H2,1-3H3
InChIKeyWCIBHUMUSAIBMQ-UHFFFAOYSA-N
XLogP1.38
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 107394634
2-(ethylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)butanenitrile
CID 63159349
2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile
CID 107392603
4-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpentan-3-ol
CID 114229284
2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394759
2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile
CID 63029058
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
2-(ethylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanenitrile
CID 63027552
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)butanenitrile
CID 79183421
1-cyclohexyl-N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391751
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile?
The IUPAC name of 2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile (CID 107394626) is 2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile is CCNC(C#N)CCN1CCCC(C)(OC)C1.
What is the InChIKey of 2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile?
The InChIKey is WCIBHUMUSAIBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-15-12(10-14)6-9-16-8-5-7-13(2,11-16)17-3/h12,15H,4-9,11H2,1-3H3.
What are the key properties of 2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile?
2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile has a molecular weight of 239.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile is sourced from PubChem (CID 107394626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).