1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one

C9H16FNO2 — CID 175321158

IUPAC1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(F)(CO)CC1
InChIInChI=1S/C9H16FNO2/c1-2-8(13)11-5-3-9(10,7-12)4-6-11/h12H,2-7H2,1H3
InChIKeyRLWNZAWLNSLYAD-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.72
Rot. Bonds2

About 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one

1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 175321158) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one
PubChem CID175321158
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(F)(CO)CC1
InChIInChI=1S/C9H16FNO2/c1-2-8(13)11-5-3-9(10,7-12)4-6-11/h12H,2-7H2,1H3
InChIKeyRLWNZAWLNSLYAD-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-(4-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
CID 131155505
(4-fluoro-1-methylpiperidin-4-yl)methanol
CID 24729611
(2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 174002395
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 155707184
1-(3,3-difluoropiperidin-1-yl)propan-1-one
CID 89382158
1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one
CID 170184671
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
1-(azepan-1-yl)propan-1-one
CID 3613534
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 158896356
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one (CID 175321158) is 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(F)(CO)CC1.
What is the InChIKey of 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is RLWNZAWLNSLYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-2-8(13)11-5-3-9(10,7-12)4-6-11/h12H,2-7H2,1H3.
What are the key properties of 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one?
1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 189.23 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 175321158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).