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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Related Compounds

6-[2-cyclobutyloxy-4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 54381772
6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 22624295
8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline
CID 46870849
2-[2-(2-phenylethoxy)phenyl]pyridine
CID 102434679
2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine
CID 174733971
4-amino-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-3-ol
CID 141047343
2-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine
CID 141236545
(3-methoxy-4-pyridin-2-ylphenyl)methanol
CID 71195386
4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 138029939
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl] benzoate;hydrochloride
CID 3077580
3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45199254
1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine
CID 10788071

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).