5-(1-fluoroethoxy)-1,2-di(propan-2-yl)piperidine

C13H26FNO — CID 175612299

IUPAC5-(1-fluoroethoxy)-1,2-di(propan-2-yl)piperidine
SMILESCC(F)OC1CCC(C(C)C)N(C(C)C)C1
InChIInChI=1S/C13H26FNO/c1-9(2)13-7-6-12(16-11(5)14)8-15(13)10(3)4/h9-13H,6-8H2,1-5H3
InChIKeyQKGCYCMEQGWRJH-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.22
Rot. Bonds4

About 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)piperidine

5-(1-fluoroethoxy)-1,2-di(propan-2-yl)piperidine (PubChem CID 175612299) has the molecular formula C13H26FNO and a molecular weight of 231.36 g/mol. Its IUPAC name is 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name5-(1-fluoroethoxy)-1,2-di(propan-2-yl)piperidine
PubChem CID175612299
Molecular FormulaC13H26FNO
Molecular Weight231.36 g/mol
Exact Mass231.20
IUPAC Name5-(1-fluoroethoxy)-1,2-di(propan-2-yl)piperidine
SMILESCC(F)OC1CCC(C(C)C)N(C(C)C)C1
InChIInChI=1S/C13H26FNO/c1-9(2)13-7-6-12(16-11(5)14)8-15(13)10(3)4/h9-13H,6-8H2,1-5H3
InChIKeyQKGCYCMEQGWRJH-UHFFFAOYSA-N
XLogP3.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)piperidine?
The IUPAC name of 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)piperidine (CID 175612299) is 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)piperidine.
What is the SMILES notation for 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)piperidine?
The canonical SMILES for 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)piperidine is CC(F)OC1CCC(C(C)C)N(C(C)C)C1.
What is the InChIKey of 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)piperidine?
The InChIKey is QKGCYCMEQGWRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-9(2)13-7-6-12(16-11(5)14)8-15(13)10(3)4/h9-13H,6-8H2,1-5H3.
What are the key properties of 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)piperidine?
5-(1-fluoroethoxy)-1,2-di(propan-2-yl)piperidine has a molecular weight of 231.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethoxy)-1,2-di(propan-2-yl)piperidine is sourced from PubChem (CID 175612299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).