3-fluoro-1-(hydroxymethyl)piperidin-4-ol

C6H12FNO2 — CID 54286888

IUPAC3-fluoro-1-(hydroxymethyl)piperidin-4-ol
SMILESOCN1CCC(O)C(F)C1
InChIInChI=1S/C6H12FNO2/c7-5-3-8(4-9)2-1-6(5)10/h5-6,9-10H,1-4H2
InChIKeyRUTCEFBNBZCLTQ-UHFFFAOYSA-N
MW149.16 g/mol
LogP-0.66
Rot. Bonds1

About 3-fluoro-1-(hydroxymethyl)piperidin-4-ol

3-fluoro-1-(hydroxymethyl)piperidin-4-ol (PubChem CID 54286888) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is 3-fluoro-1-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name3-fluoro-1-(hydroxymethyl)piperidin-4-ol
PubChem CID54286888
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name3-fluoro-1-(hydroxymethyl)piperidin-4-ol
SMILESOCN1CCC(O)C(F)C1
InChIInChI=1S/C6H12FNO2/c7-5-3-8(4-9)2-1-6(5)10/h5-6,9-10H,1-4H2
InChIKeyRUTCEFBNBZCLTQ-UHFFFAOYSA-N
XLogP-0.66
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 66048
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CID 77056
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CID 3498190
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CID 13665269
CID 13665269
CID 14799468
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CID 40566262
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CID 43426278
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CID 62022101
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CID 76736291
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CID 428683
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CID 165997427
CID 165997427

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 3-fluoro-1-(hydroxymethyl)piperidin-4-ol (CID 54286888) is 3-fluoro-1-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 3-fluoro-1-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 3-fluoro-1-(hydroxymethyl)piperidin-4-ol is OCN1CCC(O)C(F)C1.
What is the InChIKey of 3-fluoro-1-(hydroxymethyl)piperidin-4-ol?
The InChIKey is RUTCEFBNBZCLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c7-5-3-8(4-9)2-1-6(5)10/h5-6,9-10H,1-4H2.
What are the key properties of 3-fluoro-1-(hydroxymethyl)piperidin-4-ol?
3-fluoro-1-(hydroxymethyl)piperidin-4-ol has a molecular weight of 149.16 g/mol, XLogP of -0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 54286888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).