N-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine

C17H22N4 — CID 10540883

IUPACN-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine
SMILESCCNc1ccc(-c2ccccc2)nc1N1CCNCC1
InChIInChI=1S/C17H22N4/c1-2-19-16-9-8-15(14-6-4-3-5-7-14)20-17(16)21-12-10-18-11-13-21/h3-9,18-19H,2,10-13H2,1H3
InChIKeyIQGQFHDERGDOBJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.59
Rot. Bonds4

About N-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine

N-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine (PubChem CID 10540883) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine
PubChem CID10540883
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine
SMILESCCNc1ccc(-c2ccccc2)nc1N1CCNCC1
InChIInChI=1S/C17H22N4/c1-2-19-16-9-8-15(14-6-4-3-5-7-14)20-17(16)21-12-10-18-11-13-21/h3-9,18-19H,2,10-13H2,1H3
InChIKeyIQGQFHDERGDOBJ-UHFFFAOYSA-N
XLogP2.59
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine?
The IUPAC name of N-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine (CID 10540883) is N-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine.
What is the SMILES notation for N-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine?
The canonical SMILES for N-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine is CCNc1ccc(-c2ccccc2)nc1N1CCNCC1.
What is the InChIKey of N-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine?
The InChIKey is IQGQFHDERGDOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-19-16-9-8-15(14-6-4-3-5-7-14)20-17(16)21-12-10-18-11-13-21/h3-9,18-19H,2,10-13H2,1H3.
What are the key properties of N-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine?
N-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine has a molecular weight of 282.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-phenyl-2-piperazin-1-ylpyridin-3-amine is sourced from PubChem (CID 10540883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).