2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol

C19H23NO4 — CID 12852784

IUPAC2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol
SMILESOCC1C(O)C(O)C(O)CN1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NO4/c21-12-16-18(23)19(24)17(22)11-20(16)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-19,21-24H,10-12H2
InChIKeyBSFDXOMBLXQZFY-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.61
Rot. Bonds4

About 2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol

2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol (PubChem CID 12852784) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol
PubChem CID12852784
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol
SMILESOCC1C(O)C(O)C(O)CN1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NO4/c21-12-16-18(23)19(24)17(22)11-20(16)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-19,21-24H,10-12H2
InChIKeyBSFDXOMBLXQZFY-UHFFFAOYSA-N
XLogP0.61
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol (CID 12852784) is 2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol is OCC1C(O)C(O)C(O)CN1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol?
The InChIKey is BSFDXOMBLXQZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c21-12-16-18(23)19(24)17(22)11-20(16)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-19,21-24H,10-12H2.
What are the key properties of 2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol?
2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol has a molecular weight of 329.40 g/mol, XLogP of 0.61, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 12852784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).