(2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol

C16H30FNO3 — CID 155286557

IUPAC(2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol
SMILESCC(C)C1CCC(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CF)CC1
InChIInChI=1S/C16H30FNO3/c1-10(2)12-5-3-11(4-6-12)8-18-9-14(19)16(21)15(20)13(18)7-17/h10-16,19-21H,3-9H2,1-2H3/t11?,12?,13-,14+,15-,16-/m1/s1
InChIKeyRKJNWPSLNNFGEO-URRAEIRZSA-N
MW303.42 g/mol
LogP1.19
Rot. Bonds4

About (2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol

(2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol (PubChem CID 155286557) has the molecular formula C16H30FNO3 and a molecular weight of 303.42 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol
PubChem CID155286557
Molecular FormulaC16H30FNO3
Molecular Weight303.42 g/mol
Exact Mass303.22
IUPAC Name(2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol
SMILESCC(C)C1CCC(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CF)CC1
InChIInChI=1S/C16H30FNO3/c1-10(2)12-5-3-11(4-6-12)8-18-9-14(19)16(21)15(20)13(18)7-17/h10-16,19-21H,3-9H2,1-2H3/t11?,12?,13-,14+,15-,16-/m1/s1
InChIKeyRKJNWPSLNNFGEO-URRAEIRZSA-N
XLogP1.19
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol 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 (2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol (CID 155286557) is (2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol is CC(C)C1CCC(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CF)CC1.
What is the InChIKey of (2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol?
The InChIKey is RKJNWPSLNNFGEO-URRAEIRZSA-N. The full InChI is InChI=1S/C16H30FNO3/c1-10(2)12-5-3-11(4-6-12)8-18-9-14(19)16(21)15(20)13(18)7-17/h10-16,19-21H,3-9H2,1-2H3/t11?,12?,13-,14+,15-,16-/m1/s1.
What are the key properties of (2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol?
(2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol has a molecular weight of 303.42 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2-(fluoromethyl)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 155286557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).