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

C12H18N2O — CID 16765164

IUPAC4-(1-methylpiperidin-4-yl)oxyaniline
SMILESCN1CCC(Oc2ccc(N)cc2)CC1
InChIInChI=1S/C12H18N2O/c1-14-8-6-12(7-9-14)15-11-4-2-10(13)3-5-11/h2-5,12H,6-9,13H2,1H3
InChIKeyCIVRCZPEYZHQDI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.74
Rot. Bonds2

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

4-(1-methylpiperidin-4-yl)oxyaniline (PubChem CID 16765164) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)oxyaniline.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)oxyaniline
PubChem CID16765164
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(1-methylpiperidin-4-yl)oxyaniline
SMILESCN1CCC(Oc2ccc(N)cc2)CC1
InChIInChI=1S/C12H18N2O/c1-14-8-6-12(7-9-14)15-11-4-2-10(13)3-5-11/h2-5,12H,6-9,13H2,1H3
InChIKeyCIVRCZPEYZHQDI-UHFFFAOYSA-N
XLogP1.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.74
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-(1-methylpiperidin-4-yl)oxyaniline?
The IUPAC name of 4-(1-methylpiperidin-4-yl)oxyaniline (CID 16765164) is 4-(1-methylpiperidin-4-yl)oxyaniline.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)oxyaniline?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)oxyaniline is CN1CCC(Oc2ccc(N)cc2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)oxyaniline?
The InChIKey is CIVRCZPEYZHQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-8-6-12(7-9-14)15-11-4-2-10(13)3-5-11/h2-5,12H,6-9,13H2,1H3.
What are the key properties of 4-(1-methylpiperidin-4-yl)oxyaniline?
4-(1-methylpiperidin-4-yl)oxyaniline has a molecular weight of 206.29 g/mol, XLogP of 1.74, 2 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)oxyaniline is sourced from PubChem (CID 16765164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).