1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine

C29H35N3O — CID 141006758

IUPAC1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine
SMILESc1ccc(CCN2CCN(CCc3ccc(-c4ccccn4)c(OC4CCC4)c3)CC2)cc1
InChIInChI=1S/C29H35N3O/c1-2-7-24(8-3-1)14-17-31-19-21-32(22-20-31)18-15-25-12-13-27(28-11-4-5-16-30-28)29(23-25)33-26-9-6-10-26/h1-5,7-8,11-13,16,23,26H,6,9-10,14-15,17-22H2
InChIKeyDTSDEORCEJYDQN-UHFFFAOYSA-N
MW441.62 g/mol
LogP5.08
Rot. Bonds9

About 1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine

1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine (PubChem CID 141006758) has the molecular formula C29H35N3O and a molecular weight of 441.62 g/mol. Its IUPAC name is 1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine
PubChem CID141006758
Molecular FormulaC29H35N3O
Molecular Weight441.62 g/mol
Exact Mass441.28
IUPAC Name1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine
SMILESc1ccc(CCN2CCN(CCc3ccc(-c4ccccn4)c(OC4CCC4)c3)CC2)cc1
InChIInChI=1S/C29H35N3O/c1-2-7-24(8-3-1)14-17-31-19-21-32(22-20-31)18-15-25-12-13-27(28-11-4-5-16-30-28)29(23-25)33-26-9-6-10-26/h1-5,7-8,11-13,16,23,26H,6,9-10,14-15,17-22H2
InChIKeyDTSDEORCEJYDQN-UHFFFAOYSA-N
XLogP5.08
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine (CID 141006758) is 1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine is c1ccc(CCN2CCN(CCc3ccc(-c4ccccn4)c(OC4CCC4)c3)CC2)cc1.
What is the InChIKey of 1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine?
The InChIKey is DTSDEORCEJYDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O/c1-2-7-24(8-3-1)14-17-31-19-21-32(22-20-31)18-15-25-12-13-27(28-11-4-5-16-30-28)29(23-25)33-26-9-6-10-26/h1-5,7-8,11-13,16,23,26H,6,9-10,14-15,17-22H2.
What are the key properties of 1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine?
1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine has a molecular weight of 441.62 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclobutyloxy-4-pyridin-2-ylphenyl)ethyl]-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 141006758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).