1-(2-piperazin-1-ylethyl)-2H-pyridin-4-amine

C11H20N4 — CID 70341709

IUPAC1-(2-piperazin-1-ylethyl)-2H-pyridin-4-amine
SMILESNC1=CCN(CCN2CCNCC2)C=C1
InChIInChI=1S/C11H20N4/c12-11-1-5-14(6-2-11)9-10-15-7-3-13-4-8-15/h1-2,5,13H,3-4,6-10,12H2
InChIKeyBLPQSPWQTIHRBG-UHFFFAOYSA-N
MW208.31 g/mol
LogP-0.44
Rot. Bonds3

About 1-(2-piperazin-1-ylethyl)-2H-pyridin-4-amine

1-(2-piperazin-1-ylethyl)-2H-pyridin-4-amine (PubChem CID 70341709) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylethyl)-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-(2-piperazin-1-ylethyl)-2H-pyridin-4-amine
PubChem CID70341709
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-(2-piperazin-1-ylethyl)-2H-pyridin-4-amine
SMILESNC1=CCN(CCN2CCNCC2)C=C1
InChIInChI=1S/C11H20N4/c12-11-1-5-14(6-2-11)9-10-15-7-3-13-4-8-15/h1-2,5,13H,3-4,6-10,12H2
InChIKeyBLPQSPWQTIHRBG-UHFFFAOYSA-N
XLogP-0.44
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylethyl)-2H-pyridin-4-amine?
The IUPAC name of 1-(2-piperazin-1-ylethyl)-2H-pyridin-4-amine (CID 70341709) is 1-(2-piperazin-1-ylethyl)-2H-pyridin-4-amine.
What is the SMILES notation for 1-(2-piperazin-1-ylethyl)-2H-pyridin-4-amine?
The canonical SMILES for 1-(2-piperazin-1-ylethyl)-2H-pyridin-4-amine is NC1=CCN(CCN2CCNCC2)C=C1.
What is the InChIKey of 1-(2-piperazin-1-ylethyl)-2H-pyridin-4-amine?
The InChIKey is BLPQSPWQTIHRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c12-11-1-5-14(6-2-11)9-10-15-7-3-13-4-8-15/h1-2,5,13H,3-4,6-10,12H2.
What are the key properties of 1-(2-piperazin-1-ylethyl)-2H-pyridin-4-amine?
1-(2-piperazin-1-ylethyl)-2H-pyridin-4-amine has a molecular weight of 208.31 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylethyl)-2H-pyridin-4-amine is sourced from PubChem (CID 70341709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).