1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-methylpropan-1-one

C17H26N2O2 — CID 87053325

IUPAC1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(O)(c2ccccc2)[C@H](N(C)C)C1
InChIInChI=1S/C17H26N2O2/c1-13(2)16(20)19-11-10-17(21,15(12-19)18(3)4)14-8-6-5-7-9-14/h5-9,13,15,21H,10-12H2,1-4H3/t15-,17?/m1/s1
InChIKeyFDBHUTVHSCAKMR-LDCVWXEPSA-N
MW290.41 g/mol
LogP1.69
Rot. Bonds3

About 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-methylpropan-1-one

1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 87053325) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-methylpropan-1-one
PubChem CID87053325
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(O)(c2ccccc2)[C@H](N(C)C)C1
InChIInChI=1S/C17H26N2O2/c1-13(2)16(20)19-11-10-17(21,15(12-19)18(3)4)14-8-6-5-7-9-14/h5-9,13,15,21H,10-12H2,1-4H3/t15-,17?/m1/s1
InChIKeyFDBHUTVHSCAKMR-LDCVWXEPSA-N
XLogP1.69
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-methylpropan-1-one (CID 87053325) is 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(O)(c2ccccc2)[C@H](N(C)C)C1.
What is the InChIKey of 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is FDBHUTVHSCAKMR-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)16(20)19-11-10-17(21,15(12-19)18(3)4)14-8-6-5-7-9-14/h5-9,13,15,21H,10-12H2,1-4H3/t15-,17?/m1/s1.
What are the key properties of 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-methylpropan-1-one?
1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 87053325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).