3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate

C15H23N3O3 — CID 172562086

IUPAC3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate
SMILESCC(=O)OCCCOc1ccc(N2CCNCC2)cc1N
InChIInChI=1S/C15H23N3O3/c1-12(19)20-9-2-10-21-15-4-3-13(11-14(15)16)18-7-5-17-6-8-18/h3-4,11,17H,2,5-10,16H2,1H3
InChIKeyZBWCKPKYJXYFBQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.01
Rot. Bonds6

About 3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate

3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate (PubChem CID 172562086) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate.

Molecular Properties

Compound Name3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate
PubChem CID172562086
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate
SMILESCC(=O)OCCCOc1ccc(N2CCNCC2)cc1N
InChIInChI=1S/C15H23N3O3/c1-12(19)20-9-2-10-21-15-4-3-13(11-14(15)16)18-7-5-17-6-8-18/h3-4,11,17H,2,5-10,16H2,1H3
InChIKeyZBWCKPKYJXYFBQ-UHFFFAOYSA-N
XLogP1.01
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-amino-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]phenoxy]propyl acetate
CID 172562068
1-(2-amino-5-piperazin-1-ylphenyl)ethanone
CID 104612700
1-(4-hexoxy-3-methylphenyl)piperazine
CID 63214255
tert-butyl formate;2-methoxy-5-piperazin-1-ylaniline
CID 159836584
2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate
CID 22708942
(Z)-3-(3-amino-4-butoxyphenyl)-1-(1,4-diazepan-1-yl)prop-2-en-1-one
CID 94760111
1-[4-(2-ethoxyethoxy)-3-methylphenyl]piperazine
CID 63214688
2-methylsulfonyl-5-piperazin-1-ylaniline
CID 86607660
1-(3-butoxy-4-tert-butylphenyl)piperazine
CID 89492946
1-(4-ethoxy-3-methoxyphenyl)piperazine
CID 70276444
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
N,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine
CID 63214431

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate?
The IUPAC name of 3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate (CID 172562086) is 3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate.
What is the SMILES notation for 3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate?
The canonical SMILES for 3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate is CC(=O)OCCCOc1ccc(N2CCNCC2)cc1N.
What is the InChIKey of 3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate?
The InChIKey is ZBWCKPKYJXYFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-12(19)20-9-2-10-21-15-4-3-13(11-14(15)16)18-7-5-17-6-8-18/h3-4,11,17H,2,5-10,16H2,1H3.
What are the key properties of 3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate?
3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate has a molecular weight of 293.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate is sourced from PubChem (CID 172562086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).