1-[4-(3-methoxyphenyl)butyl]-4-pyridin-2-ylpiperazine

C20H27N3O — CID 11809531

IUPAC1-[4-(3-methoxyphenyl)butyl]-4-pyridin-2-ylpiperazine
SMILESCOc1cccc(CCCCN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C20H27N3O/c1-24-19-9-6-8-18(17-19)7-3-5-12-22-13-15-23(16-14-22)20-10-2-4-11-21-20/h2,4,6,8-11,17H,3,5,7,12-16H2,1H3
InChIKeyUYALMDJMDUJNMA-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.24
Rot. Bonds7

About 1-[4-(3-methoxyphenyl)butyl]-4-pyridin-2-ylpiperazine

1-[4-(3-methoxyphenyl)butyl]-4-pyridin-2-ylpiperazine (PubChem CID 11809531) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)butyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)butyl]-4-pyridin-2-ylpiperazine
PubChem CID11809531
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[4-(3-methoxyphenyl)butyl]-4-pyridin-2-ylpiperazine
SMILESCOc1cccc(CCCCN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C20H27N3O/c1-24-19-9-6-8-18(17-19)7-3-5-12-22-13-15-23(16-14-22)20-10-2-4-11-21-20/h2,4,6,8-11,17H,3,5,7,12-16H2,1H3
InChIKeyUYALMDJMDUJNMA-UHFFFAOYSA-N
XLogP3.24
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.24
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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Related Compounds

Pyrilamine
CID 4992
Pyrilamine Maleate
CID 5284451
Thonzylamine
CID 5457
Thonzylamine Hydrochloride
CID 6136
Thonzonium
CID 5456
Thonzonium Bromide
CID 11102
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
Pyrilamine hydrochloride
CID 80139
Piperazine, 1-(3,4-methylenedioxybenzyl)-4-(2-pyridyl)-
CID 100984
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
Rbi 257
CID 5041
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10474042

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)butyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[4-(3-methoxyphenyl)butyl]-4-pyridin-2-ylpiperazine (CID 11809531) is 1-[4-(3-methoxyphenyl)butyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)butyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[4-(3-methoxyphenyl)butyl]-4-pyridin-2-ylpiperazine is COc1cccc(CCCCN2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)butyl]-4-pyridin-2-ylpiperazine?
The InChIKey is UYALMDJMDUJNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-24-19-9-6-8-18(17-19)7-3-5-12-22-13-15-23(16-14-22)20-10-2-4-11-21-20/h2,4,6,8-11,17H,3,5,7,12-16H2,1H3.
What are the key properties of 1-[4-(3-methoxyphenyl)butyl]-4-pyridin-2-ylpiperazine?
1-[4-(3-methoxyphenyl)butyl]-4-pyridin-2-ylpiperazine has a molecular weight of 325.46 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)butyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 11809531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).