1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine

C20H26N2O2 — CID 3050368

IUPAC1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
SMILESCOc1cccc(OCCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H26N2O2/c1-23-19-9-5-10-20(17-19)24-16-6-11-21-12-14-22(15-13-21)18-7-3-2-4-8-18/h2-5,7-10,17H,6,11-16H2,1H3
InChIKeyNTFKFYQMYMGTAH-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.29
Rot. Bonds7

About 1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine

1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine (PubChem CID 3050368) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
PubChem CID3050368
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
SMILESCOc1cccc(OCCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H26N2O2/c1-23-19-9-5-10-20(17-19)24-16-6-11-21-12-14-22(15-13-21)18-7-3-2-4-8-18/h2-5,7-10,17H,6,11-16H2,1H3
InChIKeyNTFKFYQMYMGTAH-UHFFFAOYSA-N
XLogP3.29
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.29
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

1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine
CID 171522133
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
1-[3-(3-methoxyphenoxy)propyl]piperidin-4-amine
CID 28802855
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
CID 79479255
[3-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]thiourea
CID 25125678
2-[[3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]guanidine
CID 91045030
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
2-(3-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448767
[3-[5-(4-phenylpiperazin-1-yl)pentoxy]phenyl]thiourea
CID 25126004

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine?
The IUPAC name of 1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine (CID 3050368) is 1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine?
The canonical SMILES for 1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine is COc1cccc(OCCCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine?
The InChIKey is NTFKFYQMYMGTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-23-19-9-5-10-20(17-19)24-16-6-11-21-12-14-22(15-13-21)18-7-3-2-4-8-18/h2-5,7-10,17H,6,11-16H2,1H3.
What are the key properties of 1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine?
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine has a molecular weight of 326.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine is sourced from PubChem (CID 3050368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).