5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline

C15H24N2O — CID 58290895

IUPAC5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline
SMILESCc1cc(N)c(OC(C)C)cc1C1CCNCC1
InChIInChI=1S/C15H24N2O/c1-10(2)18-15-9-13(11(3)8-14(15)16)12-4-6-17-7-5-12/h8-10,12,17H,4-7,16H2,1-3H3
InChIKeyKOZWCCZKLQFNJK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.83
Rot. Bonds3

About 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline

5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline (PubChem CID 58290895) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline
PubChem CID58290895
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline
SMILESCc1cc(N)c(OC(C)C)cc1C1CCNCC1
InChIInChI=1S/C15H24N2O/c1-10(2)18-15-9-13(11(3)8-14(15)16)12-4-6-17-7-5-12/h8-10,12,17H,4-7,16H2,1-3H3
InChIKeyKOZWCCZKLQFNJK-UHFFFAOYSA-N
XLogP2.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
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 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline?
The IUPAC name of 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline (CID 58290895) is 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline.
What is the SMILES notation for 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline?
The canonical SMILES for 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline is Cc1cc(N)c(OC(C)C)cc1C1CCNCC1.
What is the InChIKey of 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline?
The InChIKey is KOZWCCZKLQFNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(2)18-15-9-13(11(3)8-14(15)16)12-4-6-17-7-5-12/h8-10,12,17H,4-7,16H2,1-3H3.
What are the key properties of 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline?
5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline has a molecular weight of 248.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline is sourced from PubChem (CID 58290895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).