(3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol

C10H20FNO3 — CID 58225260

IUPAC(3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol
SMILESCCCCN1C[C@@H](O)[C@H](O)[C@@H](C(O)F)C1
InChIInChI=1S/C10H20FNO3/c1-2-3-4-12-5-7(10(11)15)9(14)8(13)6-12/h7-10,13-15H,2-6H2,1H3/t7-,8+,9+,10?/m0/s1
InChIKeyKIJCCUKZIPNZNQ-UWOKOIHUSA-N
MW221.27 g/mol
LogP-0.27
Rot. Bonds4

About (3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol

(3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol (PubChem CID 58225260) has the molecular formula C10H20FNO3 and a molecular weight of 221.27 g/mol. Its IUPAC name is (3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol
PubChem CID58225260
Molecular FormulaC10H20FNO3
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name(3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol
SMILESCCCCN1C[C@@H](O)[C@H](O)[C@@H](C(O)F)C1
InChIInChI=1S/C10H20FNO3/c1-2-3-4-12-5-7(10(11)15)9(14)8(13)6-12/h7-10,13-15H,2-6H2,1H3/t7-,8+,9+,10?/m0/s1
InChIKeyKIJCCUKZIPNZNQ-UWOKOIHUSA-N
XLogP-0.27
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol?
The IUPAC name of (3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol (CID 58225260) is (3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol is CCCCN1C[C@@H](O)[C@H](O)[C@@H](C(O)F)C1.
What is the InChIKey of (3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol?
The InChIKey is KIJCCUKZIPNZNQ-UWOKOIHUSA-N. The full InChI is InChI=1S/C10H20FNO3/c1-2-3-4-12-5-7(10(11)15)9(14)8(13)6-12/h7-10,13-15H,2-6H2,1H3/t7-,8+,9+,10?/m0/s1.
What are the key properties of (3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol?
(3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol has a molecular weight of 221.27 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-1-butyl-5-[fluoro(hydroxy)methyl]piperidine-3,4-diol is sourced from PubChem (CID 58225260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).