1-(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)-2-methoxyethanone

C16H18FNO2 — CID 97385356

IUPAC1-(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(C=Cc3ccc(F)cc32)CC1
InChIInChI=1S/C16H18FNO2/c1-20-11-15(19)18-8-6-16(7-9-18)5-4-12-2-3-13(17)10-14(12)16/h2-5,10H,6-9,11H2,1H3
InChIKeyWMKBVLVVSNLWCR-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.36
Rot. Bonds2

About 1-(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)-2-methoxyethanone

1-(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)-2-methoxyethanone (PubChem CID 97385356) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)-2-methoxyethanone
PubChem CID97385356
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(C=Cc3ccc(F)cc32)CC1
InChIInChI=1S/C16H18FNO2/c1-20-11-15(19)18-8-6-16(7-9-18)5-4-12-2-3-13(17)10-14(12)16/h2-5,10H,6-9,11H2,1H3
InChIKeyWMKBVLVVSNLWCR-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)-2-methoxyethanone?
The IUPAC name of 1-(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)-2-methoxyethanone (CID 97385356) is 1-(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)-2-methoxyethanone?
The canonical SMILES for 1-(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)-2-methoxyethanone is COCC(=O)N1CCC2(C=Cc3ccc(F)cc32)CC1.
What is the InChIKey of 1-(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)-2-methoxyethanone?
The InChIKey is WMKBVLVVSNLWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-20-11-15(19)18-8-6-16(7-9-18)5-4-12-2-3-13(17)10-14(12)16/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 1-(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)-2-methoxyethanone?
1-(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)-2-methoxyethanone has a molecular weight of 275.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluorospiro[indene-1,4'-piperidine]-1'-yl)-2-methoxyethanone is sourced from PubChem (CID 97385356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).