5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline

C16H27N3O — CID 82071077

IUPAC5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(CCCN2CCNCC2)cc1N
InChIInChI=1S/C16H27N3O/c1-13(2)20-16-6-5-14(12-15(16)17)4-3-9-19-10-7-18-8-11-19/h5-6,12-13,18H,3-4,7-11,17H2,1-2H3
InChIKeyCWGYHLKZNJNTFB-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.89
Rot. Bonds6

About 5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline

5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline (PubChem CID 82071077) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline
PubChem CID82071077
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(CCCN2CCNCC2)cc1N
InChIInChI=1S/C16H27N3O/c1-13(2)20-16-6-5-14(12-15(16)17)4-3-9-19-10-7-18-8-11-19/h5-6,12-13,18H,3-4,7-11,17H2,1-2H3
InChIKeyCWGYHLKZNJNTFB-UHFFFAOYSA-N
XLogP1.89
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-methoxy-3-propan-2-yloxyphenyl)propyl]piperazine
CID 82160589
5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline
CID 82070796
5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline
CID 94759859
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine
CID 94759879
5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline
CID 82153563
1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
CID 95471785
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine
CID 170863848
1-[2-(4-propan-2-yloxyphenyl)ethyl]piperazine
CID 82255560
5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline
CID 82153239
1-[3-(3-bromo-4-methylphenyl)propyl]piperazine
CID 82308190

Frequently Asked Questions

What is the IUPAC name of 5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline?
The IUPAC name of 5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline (CID 82071077) is 5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline.
What is the SMILES notation for 5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline?
The canonical SMILES for 5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline is CC(C)Oc1ccc(CCCN2CCNCC2)cc1N.
What is the InChIKey of 5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline?
The InChIKey is CWGYHLKZNJNTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)20-16-6-5-14(12-15(16)17)4-3-9-19-10-7-18-8-11-19/h5-6,12-13,18H,3-4,7-11,17H2,1-2H3.
What are the key properties of 5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline?
5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline has a molecular weight of 277.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 82071077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).