1-(4-phenyloxan-4-yl)piperidine

C16H23NO — CID 10800408

IUPAC1-(4-phenyloxan-4-yl)piperidine
SMILESc1ccc(C2(N3CCCCC3)CCOCC2)cc1
InChIInChI=1S/C16H23NO/c1-3-7-15(8-4-1)16(9-13-18-14-10-16)17-11-5-2-6-12-17/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyMLIUPPBENLKXSU-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.18
Rot. Bonds2

About 1-(4-phenyloxan-4-yl)piperidine

1-(4-phenyloxan-4-yl)piperidine (PubChem CID 10800408) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(4-phenyloxan-4-yl)piperidine.

Molecular Properties

Compound Name1-(4-phenyloxan-4-yl)piperidine
PubChem CID10800408
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(4-phenyloxan-4-yl)piperidine
SMILESc1ccc(C2(N3CCCCC3)CCOCC2)cc1
InChIInChI=1S/C16H23NO/c1-3-7-15(8-4-1)16(9-13-18-14-10-16)17-11-5-2-6-12-17/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyMLIUPPBENLKXSU-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyloxan-4-yl)piperidine?
The IUPAC name of 1-(4-phenyloxan-4-yl)piperidine (CID 10800408) is 1-(4-phenyloxan-4-yl)piperidine.
What is the SMILES notation for 1-(4-phenyloxan-4-yl)piperidine?
The canonical SMILES for 1-(4-phenyloxan-4-yl)piperidine is c1ccc(C2(N3CCCCC3)CCOCC2)cc1.
What is the InChIKey of 1-(4-phenyloxan-4-yl)piperidine?
The InChIKey is MLIUPPBENLKXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-7-15(8-4-1)16(9-13-18-14-10-16)17-11-5-2-6-12-17/h1,3-4,7-8H,2,5-6,9-14H2.
What are the key properties of 1-(4-phenyloxan-4-yl)piperidine?
1-(4-phenyloxan-4-yl)piperidine has a molecular weight of 245.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyloxan-4-yl)piperidine is sourced from PubChem (CID 10800408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).