4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine

C16H27N3O — CID 83002828

IUPAC4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCC(C)Oc1cc(NC2CCN(C)C(C)C2)ccc1N
InChIInChI=1S/C16H27N3O/c1-11(2)20-16-10-13(5-6-15(16)17)18-14-7-8-19(4)12(3)9-14/h5-6,10-12,14,18H,7-9,17H2,1-4H3
InChIKeyPWSPZQVSFOUXCL-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.95
Rot. Bonds4

About 4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine

4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 83002828) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID83002828
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCC(C)Oc1cc(NC2CCN(C)C(C)C2)ccc1N
InChIInChI=1S/C16H27N3O/c1-11(2)20-16-10-13(5-6-15(16)17)18-14-7-8-19(4)12(3)9-14/h5-6,10-12,14,18H,7-9,17H2,1-4H3
InChIKeyPWSPZQVSFOUXCL-UHFFFAOYSA-N
XLogP2.95
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine (CID 83002828) is 4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine is CC(C)Oc1cc(NC2CCN(C)C(C)C2)ccc1N.
What is the InChIKey of 4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is PWSPZQVSFOUXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)20-16-10-13(5-6-15(16)17)18-14-7-8-19(4)12(3)9-14/h5-6,10-12,14,18H,7-9,17H2,1-4H3.
What are the key properties of 4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine?
4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 277.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 83002828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).