3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine

C11H16Cl2N4 — CID 43600403

IUPAC3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
SMILESClc1cnc(NCCN2CCNCC2)c(Cl)c1
InChIInChI=1S/C11H16Cl2N4/c12-9-7-10(13)11(16-8-9)15-3-6-17-4-1-14-2-5-17/h7-8,14H,1-6H2,(H,15,16)
InChIKeyQRLGVXXPRVIXDF-UHFFFAOYSA-N
MW275.18 g/mol
LogP1.71
Rot. Bonds4

About 3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine

3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine (PubChem CID 43600403) has the molecular formula C11H16Cl2N4 and a molecular weight of 275.18 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
PubChem CID43600403
Molecular FormulaC11H16Cl2N4
Molecular Weight275.18 g/mol
Exact Mass274.08
IUPAC Name3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
SMILESClc1cnc(NCCN2CCNCC2)c(Cl)c1
InChIInChI=1S/C11H16Cl2N4/c12-9-7-10(13)11(16-8-9)15-3-6-17-4-1-14-2-5-17/h7-8,14H,1-6H2,(H,15,16)
InChIKeyQRLGVXXPRVIXDF-UHFFFAOYSA-N
XLogP1.71
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine (CID 43600403) is 3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine is Clc1cnc(NCCN2CCNCC2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine?
The InChIKey is QRLGVXXPRVIXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4/c12-9-7-10(13)11(16-8-9)15-3-6-17-4-1-14-2-5-17/h7-8,14H,1-6H2,(H,15,16).
What are the key properties of 3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine?
3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine has a molecular weight of 275.18 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 43600403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).