1-(2-fluoropropyl)piperidin-4-one

C8H14FNO — CID 101432304

IUPAC1-(2-fluoropropyl)piperidin-4-one
SMILESCC(F)CN1CCC(=O)CC1
InChIInChI=1S/C8H14FNO/c1-7(9)6-10-4-2-8(11)3-5-10/h7H,2-6H2,1H3
InChIKeyNCMKOMXUYQJQIW-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.01
Rot. Bonds2

About 1-(2-fluoropropyl)piperidin-4-one

1-(2-fluoropropyl)piperidin-4-one (PubChem CID 101432304) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-(2-fluoropropyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-fluoropropyl)piperidin-4-one
PubChem CID101432304
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-(2-fluoropropyl)piperidin-4-one
SMILESCC(F)CN1CCC(=O)CC1
InChIInChI=1S/C8H14FNO/c1-7(9)6-10-4-2-8(11)3-5-10/h7H,2-6H2,1H3
InChIKeyNCMKOMXUYQJQIW-UHFFFAOYSA-N
XLogP1.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-piperidone
CID 74049
1-Ethylpiperidin-4-one
CID 77159
1-(Isopropyl)-4-piperidone
CID 79313
1,1-Dimethyl-4-oxopiperidin-1-ium iodide
CID 11149497
1-tert-Butyl-4-piperidone
CID 73840
1-Butyl-4-piperidone
CID 89995
1-Propyl-4-piperidone
CID 90006
4-(Piperidin-1-yl)butan-2-one
CID 414358
1-Isobutyl-4-piperidone
CID 4202451
1-Ethyl-3-methylpiperidin-4-one
CID 2733442
1,1-Dimethyl-4-oxopiperidinium iodide
CID 422966
1,3,5-Trimethylpiperidin-4-one
CID 3928384

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropyl)piperidin-4-one?
The IUPAC name of 1-(2-fluoropropyl)piperidin-4-one (CID 101432304) is 1-(2-fluoropropyl)piperidin-4-one.
What is the SMILES notation for 1-(2-fluoropropyl)piperidin-4-one?
The canonical SMILES for 1-(2-fluoropropyl)piperidin-4-one is CC(F)CN1CCC(=O)CC1.
What is the InChIKey of 1-(2-fluoropropyl)piperidin-4-one?
The InChIKey is NCMKOMXUYQJQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-7(9)6-10-4-2-8(11)3-5-10/h7H,2-6H2,1H3.
What are the key properties of 1-(2-fluoropropyl)piperidin-4-one?
1-(2-fluoropropyl)piperidin-4-one has a molecular weight of 159.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropyl)piperidin-4-one is sourced from PubChem (CID 101432304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).