4-fluoro-1-methyl-2-propan-2-ylidenepiperidine

C9H16FN — CID 89209697

IUPAC4-fluoro-1-methyl-2-propan-2-ylidenepiperidine
SMILESCC(C)=C1CC(F)CCN1C
InChIInChI=1S/C9H16FN/c1-7(2)9-6-8(10)4-5-11(9)3/h8H,4-6H2,1-3H3
InChIKeyJPCNCPRQYDPSBJ-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.34
Rot. Bonds

About 4-fluoro-1-methyl-2-propan-2-ylidenepiperidine

4-fluoro-1-methyl-2-propan-2-ylidenepiperidine (PubChem CID 89209697) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-propan-2-ylidenepiperidine.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-propan-2-ylidenepiperidine
PubChem CID89209697
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name4-fluoro-1-methyl-2-propan-2-ylidenepiperidine
SMILESCC(C)=C1CC(F)CCN1C
InChIInChI=1S/C9H16FN/c1-7(2)9-6-8(10)4-5-11(9)3/h8H,4-6H2,1-3H3
InChIKeyJPCNCPRQYDPSBJ-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2-propan-2-ylidenepiperidine?
The IUPAC name of 4-fluoro-1-methyl-2-propan-2-ylidenepiperidine (CID 89209697) is 4-fluoro-1-methyl-2-propan-2-ylidenepiperidine.
What is the SMILES notation for 4-fluoro-1-methyl-2-propan-2-ylidenepiperidine?
The canonical SMILES for 4-fluoro-1-methyl-2-propan-2-ylidenepiperidine is CC(C)=C1CC(F)CCN1C.
What is the InChIKey of 4-fluoro-1-methyl-2-propan-2-ylidenepiperidine?
The InChIKey is JPCNCPRQYDPSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-7(2)9-6-8(10)4-5-11(9)3/h8H,4-6H2,1-3H3.
What are the key properties of 4-fluoro-1-methyl-2-propan-2-ylidenepiperidine?
4-fluoro-1-methyl-2-propan-2-ylidenepiperidine has a molecular weight of 157.23 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-propan-2-ylidenepiperidine is sourced from PubChem (CID 89209697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).