1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine

C25H28ClN3O — CID 10717092

IUPAC1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine
SMILESClc1ccc(OCCc2ccccc2)c(CCN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C25H28ClN3O/c26-23-9-10-24(30-19-12-21-6-2-1-3-7-21)22(20-23)11-14-28-15-17-29(18-16-28)25-8-4-5-13-27-25/h1-10,13,20H,11-12,14-19H2
InChIKeyQNGUJVXVKSDPRH-UHFFFAOYSA-N
MW421.97 g/mol
LogP4.72
Rot. Bonds8

About 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine

1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine (PubChem CID 10717092) has the molecular formula C25H28ClN3O and a molecular weight of 421.97 g/mol. Its IUPAC name is 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine
PubChem CID10717092
Molecular FormulaC25H28ClN3O
Molecular Weight421.97 g/mol
Exact Mass421.19
IUPAC Name1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine
SMILESClc1ccc(OCCc2ccccc2)c(CCN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C25H28ClN3O/c26-23-9-10-24(30-19-12-21-6-2-1-3-7-21)22(20-23)11-14-28-15-17-29(18-16-28)25-8-4-5-13-27-25/h1-10,13,20H,11-12,14-19H2
InChIKeyQNGUJVXVKSDPRH-UHFFFAOYSA-N
XLogP4.72
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine (CID 10717092) is 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine is Clc1ccc(OCCc2ccccc2)c(CCN2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine?
The InChIKey is QNGUJVXVKSDPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O/c26-23-9-10-24(30-19-12-21-6-2-1-3-7-21)22(20-23)11-14-28-15-17-29(18-16-28)25-8-4-5-13-27-25/h1-10,13,20H,11-12,14-19H2.
What are the key properties of 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine?
1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine has a molecular weight of 421.97 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 10717092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).