[(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone

C14H19NO2 — CID 7377398

IUPAC[(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone
SMILESC[C@@H]1CN(C)CC[C@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11-10-15(2)9-8-14(11,17)13(16)12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyFVSPEICUIGLILX-BXUZGUMPSA-N
MW233.31 g/mol
LogP1.57
Rot. Bonds2

About [(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone

[(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone (PubChem CID 7377398) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone
PubChem CID7377398
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone
SMILESC[C@@H]1CN(C)CC[C@]1(O)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11-10-15(2)9-8-14(11,17)13(16)12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyFVSPEICUIGLILX-BXUZGUMPSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone?
The IUPAC name of [(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone (CID 7377398) is [(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone?
The canonical SMILES for [(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone is C[C@@H]1CN(C)CC[C@]1(O)C(=O)c1ccccc1.
What is the InChIKey of [(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone?
The InChIKey is FVSPEICUIGLILX-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-10-15(2)9-8-14(11,17)13(16)12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of [(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone?
[(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone has a molecular weight of 233.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 7377398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).