4-fluoro-1-propan-2-ylpiperidine

C8H16FN — CID 23518717

IUPAC4-fluoro-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(F)CC1
InChIInChI=1S/C8H16FN/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6H2,1-2H3
InChIKeyDOFPPYUUEATYEE-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.83
Rot. Bonds1

About 4-fluoro-1-propan-2-ylpiperidine

4-fluoro-1-propan-2-ylpiperidine (PubChem CID 23518717) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 4-fluoro-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-fluoro-1-propan-2-ylpiperidine
PubChem CID23518717
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name4-fluoro-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(F)CC1
InChIInChI=1S/C8H16FN/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6H2,1-2H3
InChIKeyDOFPPYUUEATYEE-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-propan-2-ylpiperidine?
The IUPAC name of 4-fluoro-1-propan-2-ylpiperidine (CID 23518717) is 4-fluoro-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-fluoro-1-propan-2-ylpiperidine?
The canonical SMILES for 4-fluoro-1-propan-2-ylpiperidine is CC(C)N1CCC(F)CC1.
What is the InChIKey of 4-fluoro-1-propan-2-ylpiperidine?
The InChIKey is DOFPPYUUEATYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-fluoro-1-propan-2-ylpiperidine?
4-fluoro-1-propan-2-ylpiperidine has a molecular weight of 145.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-propan-2-ylpiperidine is sourced from PubChem (CID 23518717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).