1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine

C12H24FNO — CID 167661004

IUPAC1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine
SMILESCCC(CF)N1CCC(OC(C)C)CC1
InChIInChI=1S/C12H24FNO/c1-4-11(9-13)14-7-5-12(6-8-14)15-10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyUONIQFWIHBTYGQ-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.62
Rot. Bonds5

About 1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine

1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine (PubChem CID 167661004) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine
PubChem CID167661004
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine
SMILESCCC(CF)N1CCC(OC(C)C)CC1
InChIInChI=1S/C12H24FNO/c1-4-11(9-13)14-7-5-12(6-8-14)15-10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyUONIQFWIHBTYGQ-UHFFFAOYSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine?
The IUPAC name of 1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine (CID 167661004) is 1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine.
What is the SMILES notation for 1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine?
The canonical SMILES for 1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine is CCC(CF)N1CCC(OC(C)C)CC1.
What is the InChIKey of 1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine?
The InChIKey is UONIQFWIHBTYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-4-11(9-13)14-7-5-12(6-8-14)15-10(2)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine?
1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine has a molecular weight of 217.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine is sourced from PubChem (CID 167661004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).