1-(3-phenoxypropyl)piperazine

C13H20N2O — CID 2760351

IUPAC1-(3-phenoxypropyl)piperazine
SMILESc1ccc(OCCCN2CCNCC2)cc1
InChIInChI=1S/C13H20N2O/c1-2-5-13(6-3-1)16-12-4-9-15-10-7-14-8-11-15/h1-3,5-6,14H,4,7-12H2
InChIKeyJCMMXVUEJTZCIS-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.36
Rot. Bonds5

About 1-(3-phenoxypropyl)piperazine

1-(3-phenoxypropyl)piperazine (PubChem CID 2760351) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(3-phenoxypropyl)piperazine.

Molecular Properties

Compound Name1-(3-phenoxypropyl)piperazine
PubChem CID2760351
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(3-phenoxypropyl)piperazine
SMILESc1ccc(OCCCN2CCNCC2)cc1
InChIInChI=1S/C13H20N2O/c1-2-5-13(6-3-1)16-12-4-9-15-10-7-14-8-11-15/h1-3,5-6,14H,4,7-12H2
InChIKeyJCMMXVUEJTZCIS-UHFFFAOYSA-N
XLogP1.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxalic acid;1-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 2944148
oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine
CID 2943786
1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine
CID 2195083
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
1-[3-(4-nitrophenoxy)propyl]piperazine
CID 2944313
2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetaldehyde
CID 142892985
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
CID 2943850
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
1-(2-bromoethyl)-4-(3-phenoxypropyl)-1,4-diazepane
CID 80668169
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropyl)piperazine?
The IUPAC name of 1-(3-phenoxypropyl)piperazine (CID 2760351) is 1-(3-phenoxypropyl)piperazine.
What is the SMILES notation for 1-(3-phenoxypropyl)piperazine?
The canonical SMILES for 1-(3-phenoxypropyl)piperazine is c1ccc(OCCCN2CCNCC2)cc1.
What is the InChIKey of 1-(3-phenoxypropyl)piperazine?
The InChIKey is JCMMXVUEJTZCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-5-13(6-3-1)16-12-4-9-15-10-7-14-8-11-15/h1-3,5-6,14H,4,7-12H2.
What are the key properties of 1-(3-phenoxypropyl)piperazine?
1-(3-phenoxypropyl)piperazine has a molecular weight of 220.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropyl)piperazine is sourced from PubChem (CID 2760351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).