4-(4-benzyl-1-methylpiperidin-4-yl)oxyaniline

C19H24N2O — CID 3060393

IUPAC4-(4-benzyl-1-methylpiperidin-4-yl)oxyaniline
SMILESCN1CCC(Cc2ccccc2)(Oc2ccc(N)cc2)CC1
InChIInChI=1S/C19H24N2O/c1-21-13-11-19(12-14-21,15-16-5-3-2-4-6-16)22-18-9-7-17(20)8-10-18/h2-10H,11-15,20H2,1H3
InChIKeyJLNORFRKAYHSFZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.35
Rot. Bonds4

About 4-(4-benzyl-1-methylpiperidin-4-yl)oxyaniline

4-(4-benzyl-1-methylpiperidin-4-yl)oxyaniline (PubChem CID 3060393) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-(4-benzyl-1-methylpiperidin-4-yl)oxyaniline.

Molecular Properties

Compound Name4-(4-benzyl-1-methylpiperidin-4-yl)oxyaniline
PubChem CID3060393
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name4-(4-benzyl-1-methylpiperidin-4-yl)oxyaniline
SMILESCN1CCC(Cc2ccccc2)(Oc2ccc(N)cc2)CC1
InChIInChI=1S/C19H24N2O/c1-21-13-11-19(12-14-21,15-16-5-3-2-4-6-16)22-18-9-7-17(20)8-10-18/h2-10H,11-15,20H2,1H3
InChIKeyJLNORFRKAYHSFZ-UHFFFAOYSA-N
XLogP3.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-1-methylpiperidin-4-yl)oxyaniline?
The IUPAC name of 4-(4-benzyl-1-methylpiperidin-4-yl)oxyaniline (CID 3060393) is 4-(4-benzyl-1-methylpiperidin-4-yl)oxyaniline.
What is the SMILES notation for 4-(4-benzyl-1-methylpiperidin-4-yl)oxyaniline?
The canonical SMILES for 4-(4-benzyl-1-methylpiperidin-4-yl)oxyaniline is CN1CCC(Cc2ccccc2)(Oc2ccc(N)cc2)CC1.
What is the InChIKey of 4-(4-benzyl-1-methylpiperidin-4-yl)oxyaniline?
The InChIKey is JLNORFRKAYHSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-21-13-11-19(12-14-21,15-16-5-3-2-4-6-16)22-18-9-7-17(20)8-10-18/h2-10H,11-15,20H2,1H3.
What are the key properties of 4-(4-benzyl-1-methylpiperidin-4-yl)oxyaniline?
4-(4-benzyl-1-methylpiperidin-4-yl)oxyaniline has a molecular weight of 296.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-1-methylpiperidin-4-yl)oxyaniline is sourced from PubChem (CID 3060393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).