6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine

C13H21ClN4 — CID 19379437

IUPAC6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine
SMILESCCN(CC)c1cc(N2CCNCC2)cc(Cl)n1
InChIInChI=1S/C13H21ClN4/c1-3-17(4-2)13-10-11(9-12(14)16-13)18-7-5-15-6-8-18/h9-10,15H,3-8H2,1-2H3
InChIKeyHSAONTPIEGMWPR-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.99
Rot. Bonds4

About 6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine

6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine (PubChem CID 19379437) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine
PubChem CID19379437
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine
SMILESCCN(CC)c1cc(N2CCNCC2)cc(Cl)n1
InChIInChI=1S/C13H21ClN4/c1-3-17(4-2)13-10-11(9-12(14)16-13)18-7-5-15-6-8-18/h9-10,15H,3-8H2,1-2H3
InChIKeyHSAONTPIEGMWPR-UHFFFAOYSA-N
XLogP1.99
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine?
The IUPAC name of 6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine (CID 19379437) is 6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine.
What is the SMILES notation for 6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine?
The canonical SMILES for 6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine is CCN(CC)c1cc(N2CCNCC2)cc(Cl)n1.
What is the InChIKey of 6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine?
The InChIKey is HSAONTPIEGMWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-3-17(4-2)13-10-11(9-12(14)16-13)18-7-5-15-6-8-18/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine?
6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine has a molecular weight of 268.79 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine is sourced from PubChem (CID 19379437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).