(3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol

C15H28FNO3 — CID 166834305

IUPAC(3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol
SMILESCC(C)(F)C1CCC(CN2C[C@@H](O)C(O)[C@@H](O)C2)CC1
InChIInChI=1S/C15H28FNO3/c1-15(2,16)11-5-3-10(4-6-11)7-17-8-12(18)14(20)13(19)9-17/h10-14,18-20H,3-9H2,1-2H3/t10?,11?,12-,13+,14?
InChIKeyAJQNSXRFYPYHDL-LJZITESISA-N
MW289.39 g/mol
LogP0.94
Rot. Bonds3

About (3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol

(3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol (PubChem CID 166834305) has the molecular formula C15H28FNO3 and a molecular weight of 289.39 g/mol. Its IUPAC name is (3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol
PubChem CID166834305
Molecular FormulaC15H28FNO3
Molecular Weight289.39 g/mol
Exact Mass289.21
IUPAC Name(3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol
SMILESCC(C)(F)C1CCC(CN2C[C@@H](O)C(O)[C@@H](O)C2)CC1
InChIInChI=1S/C15H28FNO3/c1-15(2,16)11-5-3-10(4-6-11)7-17-8-12(18)14(20)13(19)9-17/h10-14,18-20H,3-9H2,1-2H3/t10?,11?,12-,13+,14?
InChIKeyAJQNSXRFYPYHDL-LJZITESISA-N
XLogP0.94
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 155286440
CID 155286440
CID 155286446
CID 155286446
CID 155286447
CID 155286447
CID 155286481
CID 155286481
CID 155286499
CID 155286499
CID 155286544
CID 155286544
CID 155286557
CID 155286557
CID 155286565
CID 155286565
CID 155286590
CID 155286590
CID 155286634
CID 155286634
CID 155302439
CID 155302439
CID 155302440
CID 155302440

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The IUPAC name of (3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol (CID 166834305) is (3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for (3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol is CC(C)(F)C1CCC(CN2C[C@@H](O)C(O)[C@@H](O)C2)CC1.
What is the InChIKey of (3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The InChIKey is AJQNSXRFYPYHDL-LJZITESISA-N. The full InChI is InChI=1S/C15H28FNO3/c1-15(2,16)11-5-3-10(4-6-11)7-17-8-12(18)14(20)13(19)9-17/h10-14,18-20H,3-9H2,1-2H3/t10?,11?,12-,13+,14?.
What are the key properties of (3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol?
(3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol has a molecular weight of 289.39 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 166834305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).