1-(3-naphthalen-2-yloxypropyl)-4-pyridin-4-ylpiperazine

C22H25N3O — CID 162646011

IUPAC1-(3-naphthalen-2-yloxypropyl)-4-pyridin-4-ylpiperazine
SMILESc1ccc2cc(OCCCN3CCN(c4ccncc4)CC3)ccc2c1
InChIInChI=1S/C22H25N3O/c1-2-5-20-18-22(7-6-19(20)4-1)26-17-3-12-24-13-15-25(16-14-24)21-8-10-23-11-9-21/h1-2,4-11,18H,3,12-17H2
InChIKeyPNHJCOHIEQSSKV-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.83
Rot. Bonds6

About 1-(3-naphthalen-2-yloxypropyl)-4-pyridin-4-ylpiperazine

1-(3-naphthalen-2-yloxypropyl)-4-pyridin-4-ylpiperazine (PubChem CID 162646011) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(3-naphthalen-2-yloxypropyl)-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-(3-naphthalen-2-yloxypropyl)-4-pyridin-4-ylpiperazine
PubChem CID162646011
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-(3-naphthalen-2-yloxypropyl)-4-pyridin-4-ylpiperazine
SMILESc1ccc2cc(OCCCN3CCN(c4ccncc4)CC3)ccc2c1
InChIInChI=1S/C22H25N3O/c1-2-5-20-18-22(7-6-19(20)4-1)26-17-3-12-24-13-15-25(16-14-24)21-8-10-23-11-9-21/h1-2,4-11,18H,3,12-17H2
InChIKeyPNHJCOHIEQSSKV-UHFFFAOYSA-N
XLogP3.83
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-2-yloxypropyl)-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-(3-naphthalen-2-yloxypropyl)-4-pyridin-4-ylpiperazine (CID 162646011) is 1-(3-naphthalen-2-yloxypropyl)-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-(3-naphthalen-2-yloxypropyl)-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-(3-naphthalen-2-yloxypropyl)-4-pyridin-4-ylpiperazine is c1ccc2cc(OCCCN3CCN(c4ccncc4)CC3)ccc2c1.
What is the InChIKey of 1-(3-naphthalen-2-yloxypropyl)-4-pyridin-4-ylpiperazine?
The InChIKey is PNHJCOHIEQSSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-5-20-18-22(7-6-19(20)4-1)26-17-3-12-24-13-15-25(16-14-24)21-8-10-23-11-9-21/h1-2,4-11,18H,3,12-17H2.
What are the key properties of 1-(3-naphthalen-2-yloxypropyl)-4-pyridin-4-ylpiperazine?
1-(3-naphthalen-2-yloxypropyl)-4-pyridin-4-ylpiperazine has a molecular weight of 347.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-2-yloxypropyl)-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 162646011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).