1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine

C11H16ClN3 — CID 84690273

IUPAC1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine
SMILESClc1cncc(CCN2CCNCC2)c1
InChIInChI=1S/C11H16ClN3/c12-11-7-10(8-14-9-11)1-4-15-5-2-13-3-6-15/h7-9,13H,1-6H2
InChIKeyXRZKJUFGZQZHNC-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.18
Rot. Bonds3

About 1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine

1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine (PubChem CID 84690273) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine
PubChem CID84690273
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine
SMILESClc1cncc(CCN2CCNCC2)c1
InChIInChI=1S/C11H16ClN3/c12-11-7-10(8-14-9-11)1-4-15-5-2-13-3-6-15/h7-9,13H,1-6H2
InChIKeyXRZKJUFGZQZHNC-UHFFFAOYSA-N
XLogP1.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chloro-N-methyl-3-pyridinemethanamine
CID 11094883
1-(5-Chloropyridin-3-yl)piperazine
CID 10559857
4-chloro-N-(pyridin-3-ylmethyl)aniline
CID 2804545
(1S,6R)-8-(6-chloro-5-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
CID 9834620
(1R,6S)-8-(6-chloro-5-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
CID 9942787
(1R,6S)-3-(6-chloro-5-methylpyridin-3-yl)-3,8-diaza-bicyclo[4.2.0]octane
CID 16099073
(1S,6R)-3-(6-chloro-5-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
CID 16099101
7-(6-Chloro-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486336
2'-Chloro-N-methyl-1,2,5,6-tetrahydro-3,4'-bipyridine hcl
CID 45262543
2-Chloro-5-[(2-methylpiperidin-1-yl)methyl]pyridine
CID 3711158
1-(3,5-Dichloropyridin-4-yl)piperazine
CID 2799984
1-[(Pyridin-3-yl)methyl]piperazine
CID 156975

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine?
The IUPAC name of 1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine (CID 84690273) is 1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine is Clc1cncc(CCN2CCNCC2)c1.
What is the InChIKey of 1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine?
The InChIKey is XRZKJUFGZQZHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c12-11-7-10(8-14-9-11)1-4-15-5-2-13-3-6-15/h7-9,13H,1-6H2.
What are the key properties of 1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine?
1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine has a molecular weight of 225.72 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine is sourced from PubChem (CID 84690273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).