1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone

C20H25N3O2 — CID 87053335

IUPAC1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCN(C)[C@@H]1CN(C(=O)Cc2cccnc2)CCC1(O)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-22(2)18-15-23(19(24)13-16-7-6-11-21-14-16)12-10-20(18,25)17-8-4-3-5-9-17/h3-9,11,14,18,25H,10,12-13,15H2,1-2H3/t18-,20?/m1/s1
InChIKeyDOWVGDMCFCYJHW-QSVWIEALSA-N
MW339.44 g/mol
LogP1.67
Rot. Bonds4

About 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone

1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 87053335) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID87053335
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCN(C)[C@@H]1CN(C(=O)Cc2cccnc2)CCC1(O)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-22(2)18-15-23(19(24)13-16-7-6-11-21-14-16)12-10-20(18,25)17-8-4-3-5-9-17/h3-9,11,14,18,25H,10,12-13,15H2,1-2H3/t18-,20?/m1/s1
InChIKeyDOWVGDMCFCYJHW-QSVWIEALSA-N
XLogP1.67
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone (CID 87053335) is 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone is CN(C)[C@@H]1CN(C(=O)Cc2cccnc2)CCC1(O)c1ccccc1.
What is the InChIKey of 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is DOWVGDMCFCYJHW-QSVWIEALSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22(2)18-15-23(19(24)13-16-7-6-11-21-14-16)12-10-20(18,25)17-8-4-3-5-9-17/h3-9,11,14,18,25H,10,12-13,15H2,1-2H3/t18-,20?/m1/s1.
What are the key properties of 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone?
1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 339.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 87053335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).