1-(3-fluorooxan-4-yl)-4-propan-2-ylpiperidine

C13H24FNO — CID 123280602

IUPAC1-(3-fluorooxan-4-yl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C2CCOCC2F)CC1
InChIInChI=1S/C13H24FNO/c1-10(2)11-3-6-15(7-4-11)13-5-8-16-9-12(13)14/h10-13H,3-9H2,1-2H3
InChIKeyPEVPCYJOWXMEPE-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.48
Rot. Bonds2

About 1-(3-fluorooxan-4-yl)-4-propan-2-ylpiperidine

1-(3-fluorooxan-4-yl)-4-propan-2-ylpiperidine (PubChem CID 123280602) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-(3-fluorooxan-4-yl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(3-fluorooxan-4-yl)-4-propan-2-ylpiperidine
PubChem CID123280602
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name1-(3-fluorooxan-4-yl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C2CCOCC2F)CC1
InChIInChI=1S/C13H24FNO/c1-10(2)11-3-6-15(7-4-11)13-5-8-16-9-12(13)14/h10-13H,3-9H2,1-2H3
InChIKeyPEVPCYJOWXMEPE-UHFFFAOYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorooxan-4-yl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(3-fluorooxan-4-yl)-4-propan-2-ylpiperidine (CID 123280602) is 1-(3-fluorooxan-4-yl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(3-fluorooxan-4-yl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(3-fluorooxan-4-yl)-4-propan-2-ylpiperidine is CC(C)C1CCN(C2CCOCC2F)CC1.
What is the InChIKey of 1-(3-fluorooxan-4-yl)-4-propan-2-ylpiperidine?
The InChIKey is PEVPCYJOWXMEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-10(2)11-3-6-15(7-4-11)13-5-8-16-9-12(13)14/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-(3-fluorooxan-4-yl)-4-propan-2-ylpiperidine?
1-(3-fluorooxan-4-yl)-4-propan-2-ylpiperidine has a molecular weight of 229.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorooxan-4-yl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 123280602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).