1-ethyl-4-(ethylamino)piperidine-4-carbonitrile

C10H19N3 — CID 20622561

IUPAC1-ethyl-4-(ethylamino)piperidine-4-carbonitrile
SMILESCCNC1(C#N)CCN(CC)CC1
InChIInChI=1S/C10H19N3/c1-3-12-10(9-11)5-7-13(4-2)8-6-10/h12H,3-8H2,1-2H3
InChIKeyJDMLVIDZICTPAS-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.97
Rot. Bonds3

About 1-ethyl-4-(ethylamino)piperidine-4-carbonitrile

1-ethyl-4-(ethylamino)piperidine-4-carbonitrile (PubChem CID 20622561) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-ethyl-4-(ethylamino)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4-(ethylamino)piperidine-4-carbonitrile
PubChem CID20622561
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-ethyl-4-(ethylamino)piperidine-4-carbonitrile
SMILESCCNC1(C#N)CCN(CC)CC1
InChIInChI=1S/C10H19N3/c1-3-12-10(9-11)5-7-13(4-2)8-6-10/h12H,3-8H2,1-2H3
InChIKeyJDMLVIDZICTPAS-UHFFFAOYSA-N
XLogP0.97
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(ethylamino)piperidine-4-carbonitrile?
The IUPAC name of 1-ethyl-4-(ethylamino)piperidine-4-carbonitrile (CID 20622561) is 1-ethyl-4-(ethylamino)piperidine-4-carbonitrile.
What is the SMILES notation for 1-ethyl-4-(ethylamino)piperidine-4-carbonitrile?
The canonical SMILES for 1-ethyl-4-(ethylamino)piperidine-4-carbonitrile is CCNC1(C#N)CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-(ethylamino)piperidine-4-carbonitrile?
The InChIKey is JDMLVIDZICTPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-12-10(9-11)5-7-13(4-2)8-6-10/h12H,3-8H2,1-2H3.
What are the key properties of 1-ethyl-4-(ethylamino)piperidine-4-carbonitrile?
1-ethyl-4-(ethylamino)piperidine-4-carbonitrile has a molecular weight of 181.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(ethylamino)piperidine-4-carbonitrile is sourced from PubChem (CID 20622561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).