3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline

C16H26N2O2 — CID 80731611

IUPAC3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline
SMILESCCCOc1cc(N)cc(N2CCC(OCC)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-3-9-20-16-11-13(17)10-14(12-16)18-7-5-15(6-8-18)19-4-2/h10-12,15H,3-9,17H2,1-2H3
InChIKeyCNICHZOPUSATQO-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.06
Rot. Bonds6

About 3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline

3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline (PubChem CID 80731611) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline.

Molecular Properties

Compound Name3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline
PubChem CID80731611
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline
SMILESCCCOc1cc(N)cc(N2CCC(OCC)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-3-9-20-16-11-13(17)10-14(12-16)18-7-5-15(6-8-18)19-4-2/h10-12,15H,3-9,17H2,1-2H3
InChIKeyCNICHZOPUSATQO-UHFFFAOYSA-N
XLogP3.06
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.06
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

1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 80730032
3-(4-methylazepan-1-yl)-5-propoxyaniline
CID 80735346
3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline
CID 80727202
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-propoxyaniline
CID 80739834
1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide
CID 80725596
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-propoxyaniline
CID 80725023
1-(3-amino-5-propoxyphenyl)pyrrolidine-3,4-diol
CID 106667631
3-(4,4-diethylpiperidin-1-yl)-5-propoxyaniline
CID 80740038
3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505085
3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline
CID 80731205
3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline
CID 102955686
4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine
CID 106750486

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline?
The IUPAC name of 3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline (CID 80731611) is 3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline.
What is the SMILES notation for 3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline?
The canonical SMILES for 3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline is CCCOc1cc(N)cc(N2CCC(OCC)CC2)c1.
What is the InChIKey of 3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline?
The InChIKey is CNICHZOPUSATQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-9-20-16-11-13(17)10-14(12-16)18-7-5-15(6-8-18)19-4-2/h10-12,15H,3-9,17H2,1-2H3.
What are the key properties of 3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline?
3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline has a molecular weight of 278.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline is sourced from PubChem (CID 80731611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).