4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline

C15H24N2O — CID 175810528

IUPAC4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N)ccc1C1CCN(C)CC1
InChIInChI=1S/C15H24N2O/c1-11(2)18-15-10-13(16)4-5-14(15)12-6-8-17(3)9-7-12/h4-5,10-12H,6-9,16H2,1-3H3
InChIKeyLHDGFQKDXIZCII-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.87
Rot. Bonds3

About 4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline

4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline (PubChem CID 175810528) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline
PubChem CID175810528
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N)ccc1C1CCN(C)CC1
InChIInChI=1S/C15H24N2O/c1-11(2)18-15-10-13(16)4-5-14(15)12-6-8-17(3)9-7-12/h4-5,10-12H,6-9,16H2,1-3H3
InChIKeyLHDGFQKDXIZCII-UHFFFAOYSA-N
XLogP2.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.87
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 4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline?
The IUPAC name of 4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline (CID 175810528) is 4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline is CC(C)Oc1cc(N)ccc1C1CCN(C)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline?
The InChIKey is LHDGFQKDXIZCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)18-15-10-13(16)4-5-14(15)12-6-8-17(3)9-7-12/h4-5,10-12H,6-9,16H2,1-3H3.
What are the key properties of 4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline?
4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline has a molecular weight of 248.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline is sourced from PubChem (CID 175810528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).