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

C19H23NO3 — CID 67508584

IUPAC(3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol
SMILESOC[C@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H23NO3/c21-13-17-11-20(12-18(22)19(17)23)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17-19,21-23H,10-13H2/t17-,18-,19-/m1/s1
InChIKeyDGFRDGKPVOHULX-GUDVDZBRSA-N
MW313.40 g/mol
LogP1.50
Rot. Bonds4

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

(3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol (PubChem CID 67508584) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol
PubChem CID67508584
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol
SMILESOC[C@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H23NO3/c21-13-17-11-20(12-18(22)19(17)23)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17-19,21-23H,10-13H2/t17-,18-,19-/m1/s1
InChIKeyDGFRDGKPVOHULX-GUDVDZBRSA-N
XLogP1.50
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S,5S)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol;N-phenylaniline
CID 70297572
(3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol;N-phenylaniline
CID 70294835
(3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol
CID 67510634
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(3R,4R,5R)-5-(hydroxymethyl)-1-[(4-nitrophenyl)methyl]piperidine-3,4-diol
CID 67509941
1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid
CID 59451803
1-[(3-aminophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol
CID 75631751
[6-(hydroxymethyl)-3-[(4-phenylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 138387325
2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol
CID 12852784
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol?
The IUPAC name of (3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol (CID 67508584) is (3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol is OC[C@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol?
The InChIKey is DGFRDGKPVOHULX-GUDVDZBRSA-N. The full InChI is InChI=1S/C19H23NO3/c21-13-17-11-20(12-18(22)19(17)23)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17-19,21-23H,10-13H2/t17-,18-,19-/m1/s1.
What are the key properties of (3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol?
(3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol has a molecular weight of 313.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol is sourced from PubChem (CID 67508584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).