5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline

C18H31N3O — CID 82153563

IUPAC5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCCN2CCN(CC)CC2)cc1N
InChIInChI=1S/C18H31N3O/c1-3-14-22-18-8-7-16(15-17(18)19)6-5-9-21-12-10-20(4-2)11-13-21/h7-8,15H,3-6,9-14,19H2,1-2H3
InChIKeyHSSNLDZTRUIMPC-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.63
Rot. Bonds8

About 5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline

5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline (PubChem CID 82153563) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline
PubChem CID82153563
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCCN2CCN(CC)CC2)cc1N
InChIInChI=1S/C18H31N3O/c1-3-14-22-18-8-7-16(15-17(18)19)6-5-9-21-12-10-20(4-2)11-13-21/h7-8,15H,3-6,9-14,19H2,1-2H3
InChIKeyHSSNLDZTRUIMPC-UHFFFAOYSA-N
XLogP2.63
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(azepan-1-yl)ethyl]-2-propoxyaniline
CID 82256209
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine
CID 170863858
5-[2-(3-morpholin-4-ylpropylamino)ethyl]-2-propoxyaniline
CID 95408695
1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine
CID 170863779
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline
CID 82071077
2-methoxy-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline
CID 82071195
5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline
CID 82257616
5-[2-(ethylamino)ethyl]-2-propoxyaniline
CID 82257618
1-[3-[4-butyl-2-(3-piperidin-1-ylpropoxy)phenoxy]propyl]piperidine
CID 131729850
4-[4-(4-ethylpiperazin-1-yl)butyl]aniline
CID 94274343

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline?
The IUPAC name of 5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline (CID 82153563) is 5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline.
What is the SMILES notation for 5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline?
The canonical SMILES for 5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline is CCCOc1ccc(CCCN2CCN(CC)CC2)cc1N.
What is the InChIKey of 5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline?
The InChIKey is HSSNLDZTRUIMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-3-14-22-18-8-7-16(15-17(18)19)6-5-9-21-12-10-20(4-2)11-13-21/h7-8,15H,3-6,9-14,19H2,1-2H3.
What are the key properties of 5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline?
5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline has a molecular weight of 305.47 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline is sourced from PubChem (CID 82153563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).