4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile

C12H23N3 — CID 63029104

IUPAC4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile
SMILESCCC1CCN(CCC(C#N)NC)CC1
InChIInChI=1S/C12H23N3/c1-3-11-4-7-15(8-5-11)9-6-12(10-13)14-2/h11-12,14H,3-9H2,1-2H3
InChIKeyUVLKLXVQGDGJRA-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.61
Rot. Bonds5

About 4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile

4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile (PubChem CID 63029104) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile.

Molecular Properties

Compound Name4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile
PubChem CID63029104
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile
SMILESCCC1CCN(CCC(C#N)NC)CC1
InChIInChI=1S/C12H23N3/c1-3-11-4-7-15(8-5-11)9-6-12(10-13)14-2/h11-12,14H,3-9H2,1-2H3
InChIKeyUVLKLXVQGDGJRA-UHFFFAOYSA-N
XLogP1.61
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 55144475
4-(4-ethoxypiperidin-1-yl)-2-(methylamino)butanenitrile
CID 63027329
4-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)butanenitrile
CID 63159348
2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile
CID 63029852
4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 103501849
4-ethyl-1-(3-methylhexyl)piperidine
CID 176984647
1-amino-4-(4-ethylpiperidin-1-yl)butan-2-ol
CID 64818908
1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623574
1-[3-cyano-3-(methylamino)propyl]piperidine-3-carboxamide
CID 63029052
2-(methylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile
CID 102745417
ethane;2-(4-ethylpiperidin-1-yl)ethanol
CID 143029211
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62643870

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile?
The IUPAC name of 4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile (CID 63029104) is 4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile.
What is the SMILES notation for 4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile?
The canonical SMILES for 4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile is CCC1CCN(CCC(C#N)NC)CC1.
What is the InChIKey of 4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile?
The InChIKey is UVLKLXVQGDGJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-11-4-7-15(8-5-11)9-6-12(10-13)14-2/h11-12,14H,3-9H2,1-2H3.
What are the key properties of 4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile?
4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperidin-1-yl)-2-(methylamino)butanenitrile is sourced from PubChem (CID 63029104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).