1-(2-naphthalen-1-yloxyethyl)-4-pyridin-4-ylpiperazine

C21H23N3O — CID 171349388

IUPAC1-(2-naphthalen-1-yloxyethyl)-4-pyridin-4-ylpiperazine
SMILESc1ccc2c(OCCN3CCN(c4ccncc4)CC3)cccc2c1
InChIInChI=1S/C21H23N3O/c1-2-6-20-18(4-1)5-3-7-21(20)25-17-16-23-12-14-24(15-13-23)19-8-10-22-11-9-19/h1-11H,12-17H2
InChIKeyJVLSKMYKWQOOKP-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.44
Rot. Bonds5

About 1-(2-naphthalen-1-yloxyethyl)-4-pyridin-4-ylpiperazine

1-(2-naphthalen-1-yloxyethyl)-4-pyridin-4-ylpiperazine (PubChem CID 171349388) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(2-naphthalen-1-yloxyethyl)-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-(2-naphthalen-1-yloxyethyl)-4-pyridin-4-ylpiperazine
PubChem CID171349388
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-(2-naphthalen-1-yloxyethyl)-4-pyridin-4-ylpiperazine
SMILESc1ccc2c(OCCN3CCN(c4ccncc4)CC3)cccc2c1
InChIInChI=1S/C21H23N3O/c1-2-6-20-18(4-1)5-3-7-21(20)25-17-16-23-12-14-24(15-13-23)19-8-10-22-11-9-19/h1-11H,12-17H2
InChIKeyJVLSKMYKWQOOKP-UHFFFAOYSA-N
XLogP3.44
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-1-yloxyethyl)-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-(2-naphthalen-1-yloxyethyl)-4-pyridin-4-ylpiperazine (CID 171349388) is 1-(2-naphthalen-1-yloxyethyl)-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-(2-naphthalen-1-yloxyethyl)-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-(2-naphthalen-1-yloxyethyl)-4-pyridin-4-ylpiperazine is c1ccc2c(OCCN3CCN(c4ccncc4)CC3)cccc2c1.
What is the InChIKey of 1-(2-naphthalen-1-yloxyethyl)-4-pyridin-4-ylpiperazine?
The InChIKey is JVLSKMYKWQOOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-6-20-18(4-1)5-3-7-21(20)25-17-16-23-12-14-24(15-13-23)19-8-10-22-11-9-19/h1-11H,12-17H2.
What are the key properties of 1-(2-naphthalen-1-yloxyethyl)-4-pyridin-4-ylpiperazine?
1-(2-naphthalen-1-yloxyethyl)-4-pyridin-4-ylpiperazine has a molecular weight of 333.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-1-yloxyethyl)-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 171349388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).