1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone

C8H14FNO2 — CID 148826626

IUPAC1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone
SMILESC[C@H]1CCN(C(=O)CO)C[C@H]1F
InChIInChI=1S/C8H14FNO2/c1-6-2-3-10(4-7(6)9)8(12)5-11/h6-7,11H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyOSVZNQQVDWDEHM-NKWVEPMBSA-N
MW175.20 g/mol
LogP0.19
Rot. Bonds1

About 1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone

1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone (PubChem CID 148826626) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone
PubChem CID148826626
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone
SMILESC[C@H]1CCN(C(=O)CO)C[C@H]1F
InChIInChI=1S/C8H14FNO2/c1-6-2-3-10(4-7(6)9)8(12)5-11/h6-7,11H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyOSVZNQQVDWDEHM-NKWVEPMBSA-N
XLogP0.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-1-(3-methylpiperidin-1-yl)ethan-1-one
CID 16769354
(2R)-1-(4-butan-2-yl-4-fluoropiperidin-1-yl)-2-hydroxypropan-1-one
CID 89796450
3,3,3-Trifluoro-2-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 89935849
(2R)-1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 89970284
1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone
CID 118553731
1-[(3R,4R)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone
CID 121246746
1-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone
CID 121246752
1-[(3S,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone
CID 121246753
1-[(3R)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone
CID 121265396
3,3,3-Trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 123148937
1-[4-Fluoro-4-(hydroxymethyl)-1-piperidinyl]ethanone
CID 126741650
1-(3,3-Difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone
CID 130733246

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone (CID 148826626) is 1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone is C[C@H]1CCN(C(=O)CO)C[C@H]1F.
What is the InChIKey of 1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone?
The InChIKey is OSVZNQQVDWDEHM-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-6-2-3-10(4-7(6)9)8(12)5-11/h6-7,11H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of 1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone?
1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone has a molecular weight of 175.20 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 148826626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).