4-(1-methyl-4-phenylpiperidin-4-yl)oxyaniline

C18H22N2O — CID 3060392

IUPAC4-(1-methyl-4-phenylpiperidin-4-yl)oxyaniline
SMILESCN1CCC(Oc2ccc(N)cc2)(c2ccccc2)CC1
InChIInChI=1S/C18H22N2O/c1-20-13-11-18(12-14-20,15-5-3-2-4-6-15)21-17-9-7-16(19)8-10-17/h2-10H,11-14,19H2,1H3
InChIKeyGNVZOTBLCYEIRW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.27
Rot. Bonds3

About 4-(1-methyl-4-phenylpiperidin-4-yl)oxyaniline

4-(1-methyl-4-phenylpiperidin-4-yl)oxyaniline (PubChem CID 3060392) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(1-methyl-4-phenylpiperidin-4-yl)oxyaniline.

Molecular Properties

Compound Name4-(1-methyl-4-phenylpiperidin-4-yl)oxyaniline
PubChem CID3060392
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-(1-methyl-4-phenylpiperidin-4-yl)oxyaniline
SMILESCN1CCC(Oc2ccc(N)cc2)(c2ccccc2)CC1
InChIInChI=1S/C18H22N2O/c1-20-13-11-18(12-14-20,15-5-3-2-4-6-15)21-17-9-7-16(19)8-10-17/h2-10H,11-14,19H2,1H3
InChIKeyGNVZOTBLCYEIRW-UHFFFAOYSA-N
XLogP3.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.27
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-methyl-4-phenylpiperidin-4-yl)oxyaniline?
The IUPAC name of 4-(1-methyl-4-phenylpiperidin-4-yl)oxyaniline (CID 3060392) is 4-(1-methyl-4-phenylpiperidin-4-yl)oxyaniline.
What is the SMILES notation for 4-(1-methyl-4-phenylpiperidin-4-yl)oxyaniline?
The canonical SMILES for 4-(1-methyl-4-phenylpiperidin-4-yl)oxyaniline is CN1CCC(Oc2ccc(N)cc2)(c2ccccc2)CC1.
What is the InChIKey of 4-(1-methyl-4-phenylpiperidin-4-yl)oxyaniline?
The InChIKey is GNVZOTBLCYEIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20-13-11-18(12-14-20,15-5-3-2-4-6-15)21-17-9-7-16(19)8-10-17/h2-10H,11-14,19H2,1H3.
What are the key properties of 4-(1-methyl-4-phenylpiperidin-4-yl)oxyaniline?
4-(1-methyl-4-phenylpiperidin-4-yl)oxyaniline has a molecular weight of 282.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-4-phenylpiperidin-4-yl)oxyaniline is sourced from PubChem (CID 3060392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).