1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine

C22H24N4O — CID 171833564

IUPAC1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine
SMILESc1cncc(CCOc2cccnc2-c2cccc(N3CCNCC3)c2)c1
InChIInChI=1S/C22H24N4O/c1-5-19(16-20(6-1)26-13-11-23-12-14-26)22-21(7-3-10-25-22)27-15-8-18-4-2-9-24-17-18/h1-7,9-10,16-17,23H,8,11-15H2
InChIKeyIQZMAMPMIXPLLP-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.17
Rot. Bonds6

About 1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine

1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine (PubChem CID 171833564) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine.

Molecular Properties

Compound Name1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine
PubChem CID171833564
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine
SMILESc1cncc(CCOc2cccnc2-c2cccc(N3CCNCC3)c2)c1
InChIInChI=1S/C22H24N4O/c1-5-19(16-20(6-1)26-13-11-23-12-14-26)22-21(7-3-10-25-22)27-15-8-18-4-2-9-24-17-18/h1-7,9-10,16-17,23H,8,11-15H2
InChIKeyIQZMAMPMIXPLLP-UHFFFAOYSA-N
XLogP3.17
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol
CID 171833507
1-(3-pyridin-3-ylphenyl)piperazine
CID 150431219
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine
CID 25263310
3-(2-phenylethoxy)-2-pyridin-4-ylpyridine
CID 118735185
5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride
CID 67345132
(3-piperazin-1-ylphenyl)methanamine
CID 83775094
6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride
CID 154914716
1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
2-(3-bromophenyl)sulfanyl-3-(2-pyridin-3-ylethoxy)pyridine
CID 15895870
2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine
CID 23506266
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline
CID 63262779

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine?
The IUPAC name of 1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine (CID 171833564) is 1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine.
What is the SMILES notation for 1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine?
The canonical SMILES for 1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine is c1cncc(CCOc2cccnc2-c2cccc(N3CCNCC3)c2)c1.
What is the InChIKey of 1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine?
The InChIKey is IQZMAMPMIXPLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-5-19(16-20(6-1)26-13-11-23-12-14-26)22-21(7-3-10-25-22)27-15-8-18-4-2-9-24-17-18/h1-7,9-10,16-17,23H,8,11-15H2.
What are the key properties of 1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine?
1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine has a molecular weight of 360.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenyl]piperazine is sourced from PubChem (CID 171833564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).