1-[4-[5-(3,5-dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine

C23H25N3O2 — CID 118392585

IUPAC1-[4-[5-(3,5-dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine
SMILESCOc1cc(OC)cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2)c1
InChIInChI=1S/C23H25N3O2/c1-27-22-12-18(13-23(14-22)28-2)20-11-19(15-25-16-20)17-3-5-21(6-4-17)26-9-7-24-8-10-26/h3-6,11-16,24H,7-10H2,1-2H3
InChIKeyNKMOOGGPYILCOG-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.84
Rot. Bonds5

About 1-[4-[5-(3,5-dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine

1-[4-[5-(3,5-dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine (PubChem CID 118392585) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[4-[5-(3,5-dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine.

Molecular Properties

Compound Name1-[4-[5-(3,5-dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine
PubChem CID118392585
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[4-[5-(3,5-dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine
SMILESCOc1cc(OC)cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2)c1
InChIInChI=1S/C23H25N3O2/c1-27-22-12-18(13-23(14-22)28-2)20-11-19(15-25-16-20)17-3-5-21(6-4-17)26-9-7-24-8-10-26/h3-6,11-16,24H,7-10H2,1-2H3
InChIKeyNKMOOGGPYILCOG-UHFFFAOYSA-N
XLogP3.84
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3,5-dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine?
The IUPAC name of 1-[4-[5-(3,5-dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine (CID 118392585) is 1-[4-[5-(3,5-dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine.
What is the SMILES notation for 1-[4-[5-(3,5-dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine?
The canonical SMILES for 1-[4-[5-(3,5-dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine is COc1cc(OC)cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2)c1.
What is the InChIKey of 1-[4-[5-(3,5-dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine?
The InChIKey is NKMOOGGPYILCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-27-22-12-18(13-23(14-22)28-2)20-11-19(15-25-16-20)17-3-5-21(6-4-17)26-9-7-24-8-10-26/h3-6,11-16,24H,7-10H2,1-2H3.
What are the key properties of 1-[4-[5-(3,5-dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine?
1-[4-[5-(3,5-dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine has a molecular weight of 375.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3,5-dimethoxyphenyl)-3-pyridinyl]phenyl]piperazine is sourced from PubChem (CID 118392585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).