(3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol

C13H18ClNO2 — CID 3051059

IUPAC(3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol
SMILESCN1C[C@](C)(O)[C@@H](O)C[C@H]1c1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-13(17)8-15(2)11(7-12(13)16)9-5-3-4-6-10(9)14/h3-6,11-12,16-17H,7-8H2,1-2H3/t11-,12-,13-/m0/s1
InChIKeyFGILBIAQXWCXFC-AVGNSLFASA-N
MW255.74 g/mol
LogP1.83
Rot. Bonds1

About (3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol

(3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol (PubChem CID 3051059) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is (3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol
PubChem CID3051059
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name(3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol
SMILESCN1C[C@](C)(O)[C@@H](O)C[C@H]1c1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-13(17)8-15(2)11(7-12(13)16)9-5-3-4-6-10(9)14/h3-6,11-12,16-17H,7-8H2,1-2H3/t11-,12-,13-/m0/s1
InChIKeyFGILBIAQXWCXFC-AVGNSLFASA-N
XLogP1.83
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol?
The IUPAC name of (3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol (CID 3051059) is (3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol.
What is the SMILES notation for (3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol?
The canonical SMILES for (3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol is CN1C[C@](C)(O)[C@@H](O)C[C@H]1c1ccccc1Cl.
What is the InChIKey of (3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol?
The InChIKey is FGILBIAQXWCXFC-AVGNSLFASA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-13(17)8-15(2)11(7-12(13)16)9-5-3-4-6-10(9)14/h3-6,11-12,16-17H,7-8H2,1-2H3/t11-,12-,13-/m0/s1.
What are the key properties of (3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol?
(3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol has a molecular weight of 255.74 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol is sourced from PubChem (CID 3051059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).