(3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol

C13H19NO3 — CID 54304602

IUPAC(3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol
SMILESOC[C@H]1CN(Cc2ccccc2)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H19NO3/c15-9-11-7-14(8-12(16)13(11)17)6-10-4-2-1-3-5-10/h1-5,11-13,15-17H,6-9H2/t11-,12-,13-/m1/s1
InChIKeySGPVIQCAOCSXHN-JHJVBQTASA-N
MW237.30 g/mol
LogP-0.17
Rot. Bonds3

About (3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol

(3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol (PubChem CID 54304602) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol
PubChem CID54304602
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol
SMILESOC[C@H]1CN(Cc2ccccc2)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H19NO3/c15-9-11-7-14(8-12(16)13(11)17)6-10-4-2-1-3-5-10/h1-5,11-13,15-17H,6-9H2/t11-,12-,13-/m1/s1
InChIKeySGPVIQCAOCSXHN-JHJVBQTASA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol?
The IUPAC name of (3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol (CID 54304602) is (3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol is OC[C@H]1CN(Cc2ccccc2)C[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol?
The InChIKey is SGPVIQCAOCSXHN-JHJVBQTASA-N. The full InChI is InChI=1S/C13H19NO3/c15-9-11-7-14(8-12(16)13(11)17)6-10-4-2-1-3-5-10/h1-5,11-13,15-17H,6-9H2/t11-,12-,13-/m1/s1.
What are the key properties of (3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol?
(3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol has a molecular weight of 237.30 g/mol, XLogP of -0.17, 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-benzyl-5-(hydroxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 54304602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).