4-(1-benzhydrylpiperidin-4-yl)oxyaniline

C24H26N2O — CID 86008427

IUPAC4-(1-benzhydrylpiperidin-4-yl)oxyaniline
SMILESNc1ccc(OC2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N2O/c25-21-11-13-22(14-12-21)27-23-15-17-26(18-16-23)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23-24H,15-18,25H2
InChIKeyVLJWNNLTZALIKV-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.90
Rot. Bonds5

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

4-(1-benzhydrylpiperidin-4-yl)oxyaniline (PubChem CID 86008427) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-(1-benzhydrylpiperidin-4-yl)oxyaniline.

Molecular Properties

Compound Name4-(1-benzhydrylpiperidin-4-yl)oxyaniline
PubChem CID86008427
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name4-(1-benzhydrylpiperidin-4-yl)oxyaniline
SMILESNc1ccc(OC2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N2O/c25-21-11-13-22(14-12-21)27-23-15-17-26(18-16-23)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23-24H,15-18,25H2
InChIKeyVLJWNNLTZALIKV-UHFFFAOYSA-N
XLogP4.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.90
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-benzhydrylpiperidin-4-yl)oxyaniline?
The IUPAC name of 4-(1-benzhydrylpiperidin-4-yl)oxyaniline (CID 86008427) is 4-(1-benzhydrylpiperidin-4-yl)oxyaniline.
What is the SMILES notation for 4-(1-benzhydrylpiperidin-4-yl)oxyaniline?
The canonical SMILES for 4-(1-benzhydrylpiperidin-4-yl)oxyaniline is Nc1ccc(OC2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(1-benzhydrylpiperidin-4-yl)oxyaniline?
The InChIKey is VLJWNNLTZALIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c25-21-11-13-22(14-12-21)27-23-15-17-26(18-16-23)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23-24H,15-18,25H2.
What are the key properties of 4-(1-benzhydrylpiperidin-4-yl)oxyaniline?
4-(1-benzhydrylpiperidin-4-yl)oxyaniline has a molecular weight of 358.49 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzhydrylpiperidin-4-yl)oxyaniline is sourced from PubChem (CID 86008427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).