1-(oxan-4-yl)-4-phenylpiperidine

C16H23NO — CID 69060578

IUPAC1-(oxan-4-yl)-4-phenylpiperidine
SMILESc1ccc(C2CCN(C3CCOCC3)CC2)cc1
InChIInChI=1S/C16H23NO/c1-2-4-14(5-3-1)15-6-10-17(11-7-15)16-8-12-18-13-9-16/h1-5,15-16H,6-13H2
InChIKeyHUZGGPIWTFCGLH-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.05
Rot. Bonds2

About 1-(oxan-4-yl)-4-phenylpiperidine

1-(oxan-4-yl)-4-phenylpiperidine (PubChem CID 69060578) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-phenylpiperidine.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-phenylpiperidine
PubChem CID69060578
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(oxan-4-yl)-4-phenylpiperidine
SMILESc1ccc(C2CCN(C3CCOCC3)CC2)cc1
InChIInChI=1S/C16H23NO/c1-2-4-14(5-3-1)15-6-10-17(11-7-15)16-8-12-18-13-9-16/h1-5,15-16H,6-13H2
InChIKeyHUZGGPIWTFCGLH-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-4-phenylpiperidine?
The IUPAC name of 1-(oxan-4-yl)-4-phenylpiperidine (CID 69060578) is 1-(oxan-4-yl)-4-phenylpiperidine.
What is the SMILES notation for 1-(oxan-4-yl)-4-phenylpiperidine?
The canonical SMILES for 1-(oxan-4-yl)-4-phenylpiperidine is c1ccc(C2CCN(C3CCOCC3)CC2)cc1.
What is the InChIKey of 1-(oxan-4-yl)-4-phenylpiperidine?
The InChIKey is HUZGGPIWTFCGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-4-14(5-3-1)15-6-10-17(11-7-15)16-8-12-18-13-9-16/h1-5,15-16H,6-13H2.
What are the key properties of 1-(oxan-4-yl)-4-phenylpiperidine?
1-(oxan-4-yl)-4-phenylpiperidine has a molecular weight of 245.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-4-phenylpiperidine is sourced from PubChem (CID 69060578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).