(2R,3R,4R)-1-benzyl-2-(hydroxymethyl)piperidine-3,4-diol

C13H19NO3 — CID 118986929

IUPAC(2R,3R,4R)-1-benzyl-2-(hydroxymethyl)piperidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccccc1
InChIInChI=1S/C13H19NO3/c15-9-11-13(17)12(16)6-7-14(11)8-10-4-2-1-3-5-10/h1-5,11-13,15-17H,6-9H2/t11-,12-,13-/m1/s1
InChIKeyVIRMPSRZNHLPQN-JHJVBQTASA-N
MW237.30 g/mol
LogP-0.03
Rot. Bonds3

About (2R,3R,4R)-1-benzyl-2-(hydroxymethyl)piperidine-3,4-diol

(2R,3R,4R)-1-benzyl-2-(hydroxymethyl)piperidine-3,4-diol (PubChem CID 118986929) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2R,3R,4R)-1-benzyl-2-(hydroxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-1-benzyl-2-(hydroxymethyl)piperidine-3,4-diol
PubChem CID118986929
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(2R,3R,4R)-1-benzyl-2-(hydroxymethyl)piperidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccccc1
InChIInChI=1S/C13H19NO3/c15-9-11-13(17)12(16)6-7-14(11)8-10-4-2-1-3-5-10/h1-5,11-13,15-17H,6-9H2/t11-,12-,13-/m1/s1
InChIKeyVIRMPSRZNHLPQN-JHJVBQTASA-N
XLogP-0.03
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1-benzyl-2-(hydroxymethyl)piperidine-3,4-diol?
The IUPAC name of (2R,3R,4R)-1-benzyl-2-(hydroxymethyl)piperidine-3,4-diol (CID 118986929) is (2R,3R,4R)-1-benzyl-2-(hydroxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-1-benzyl-2-(hydroxymethyl)piperidine-3,4-diol?
The canonical SMILES for (2R,3R,4R)-1-benzyl-2-(hydroxymethyl)piperidine-3,4-diol is OC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccccc1.
What is the InChIKey of (2R,3R,4R)-1-benzyl-2-(hydroxymethyl)piperidine-3,4-diol?
The InChIKey is VIRMPSRZNHLPQN-JHJVBQTASA-N. The full InChI is InChI=1S/C13H19NO3/c15-9-11-13(17)12(16)6-7-14(11)8-10-4-2-1-3-5-10/h1-5,11-13,15-17H,6-9H2/t11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R)-1-benzyl-2-(hydroxymethyl)piperidine-3,4-diol?
(2R,3R,4R)-1-benzyl-2-(hydroxymethyl)piperidine-3,4-diol has a molecular weight of 237.30 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 (2R,3R,4R)-1-benzyl-2-(hydroxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 118986929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).