(3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol

C13H18FNO3 — CID 67510634

IUPAC(3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol
SMILESOC[C@H]1CN(Cc2ccc(F)cc2)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H18FNO3/c14-11-3-1-9(2-4-11)5-15-6-10(8-16)13(18)12(17)7-15/h1-4,10,12-13,16-18H,5-8H2/t10-,12-,13-/m1/s1
InChIKeyIJAGUXHRYPNJAM-RAIGVLPGSA-N
MW255.29 g/mol
LogP-0.03
Rot. Bonds3

About (3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol

(3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol (PubChem CID 67510634) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is (3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol
PubChem CID67510634
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name(3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol
SMILESOC[C@H]1CN(Cc2ccc(F)cc2)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H18FNO3/c14-11-3-1-9(2-4-11)5-15-6-10(8-16)13(18)12(17)7-15/h1-4,10,12-13,16-18H,5-8H2/t10-,12-,13-/m1/s1
InChIKeyIJAGUXHRYPNJAM-RAIGVLPGSA-N
XLogP-0.03
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol
CID 67508584
(3R,4R,5R)-5-(hydroxymethyl)-1-[(4-nitrophenyl)methyl]piperidine-3,4-diol
CID 67509941
(3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol;N-phenylaniline
CID 70294835
(3S,4S,5S)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol;N-phenylaniline
CID 70297572
1-[(3-aminophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol
CID 75631751
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
1-[(4-fluorophenyl)methyl]azetidine-3-thiol;sulfuric acid
CID 87480565
(3R,4R,5R)-5-(hydroxymethyl)-1-[(3-nitrophenyl)methyl]piperidine-3,4-diol
CID 51357315
(3R,4R)-1-[(4-fluorophenyl)methyl]-4-(2-hydroxyethylamino)piperidin-3-ol
CID 46953227
1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672342
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol?
The IUPAC name of (3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol (CID 67510634) is (3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol is OC[C@H]1CN(Cc2ccc(F)cc2)C[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol?
The InChIKey is IJAGUXHRYPNJAM-RAIGVLPGSA-N. The full InChI is InChI=1S/C13H18FNO3/c14-11-3-1-9(2-4-11)5-15-6-10(8-16)13(18)12(17)7-15/h1-4,10,12-13,16-18H,5-8H2/t10-,12-,13-/m1/s1.
What are the key properties of (3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol?
(3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol has a molecular weight of 255.29 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 67510634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).