1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine

C21H20ClN3 — CID 59446270

IUPAC1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine
SMILESClc1cc(-c2ccccc2)ccc1N1CCN(c2cccnc2)CC1
InChIInChI=1S/C21H20ClN3/c22-20-15-18(17-5-2-1-3-6-17)8-9-21(20)25-13-11-24(12-14-25)19-7-4-10-23-16-19/h1-10,15-16H,11-14H2
InChIKeyDBDMZFWDTNJWTM-UHFFFAOYSA-N
MW349.87 g/mol
LogP4.73
Rot. Bonds3

About 1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine

1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine (PubChem CID 59446270) has the molecular formula C21H20ClN3 and a molecular weight of 349.87 g/mol. Its IUPAC name is 1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine
PubChem CID59446270
Molecular FormulaC21H20ClN3
Molecular Weight349.87 g/mol
Exact Mass349.13
IUPAC Name1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine
SMILESClc1cc(-c2ccccc2)ccc1N1CCN(c2cccnc2)CC1
InChIInChI=1S/C21H20ClN3/c22-20-15-18(17-5-2-1-3-6-17)8-9-21(20)25-13-11-24(12-14-25)19-7-4-10-23-16-19/h1-10,15-16H,11-14H2
InChIKeyDBDMZFWDTNJWTM-UHFFFAOYSA-N
XLogP4.73
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine?
The IUPAC name of 1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine (CID 59446270) is 1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine?
The canonical SMILES for 1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine is Clc1cc(-c2ccccc2)ccc1N1CCN(c2cccnc2)CC1.
What is the InChIKey of 1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine?
The InChIKey is DBDMZFWDTNJWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3/c22-20-15-18(17-5-2-1-3-6-17)8-9-21(20)25-13-11-24(12-14-25)19-7-4-10-23-16-19/h1-10,15-16H,11-14H2.
What are the key properties of 1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine?
1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine has a molecular weight of 349.87 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine is sourced from PubChem (CID 59446270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).