3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline

C16H26N2O — CID 80739316

IUPAC3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline
SMILESCCCOc1cc(N)cc(N2CCC(C)CC2C)c1
InChIInChI=1S/C16H26N2O/c1-4-7-19-16-10-14(17)9-15(11-16)18-6-5-12(2)8-13(18)3/h9-13H,4-8,17H2,1-3H3
InChIKeyUWOVOROFGWXFHX-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.68
Rot. Bonds4

About 3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline

3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline (PubChem CID 80739316) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline
PubChem CID80739316
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline
SMILESCCCOc1cc(N)cc(N2CCC(C)CC2C)c1
InChIInChI=1S/C16H26N2O/c1-4-7-19-16-10-14(17)9-15(11-16)18-6-5-12(2)8-13(18)3/h9-13H,4-8,17H2,1-3H3
InChIKeyUWOVOROFGWXFHX-UHFFFAOYSA-N
XLogP3.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline (CID 80739316) is 3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline is CCCOc1cc(N)cc(N2CCC(C)CC2C)c1.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline?
The InChIKey is UWOVOROFGWXFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-7-19-16-10-14(17)9-15(11-16)18-6-5-12(2)8-13(18)3/h9-13H,4-8,17H2,1-3H3.
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline?
3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline has a molecular weight of 262.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline is sourced from PubChem (CID 80739316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).