1-[3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone

C22H28N2O2 — CID 171344130

IUPAC1-[3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone
SMILESCN(C)CC1CN(C(=O)Cc2ccccc2)CCC1(O)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-23(2)16-20-17-24(21(25)15-18-9-5-3-6-10-18)14-13-22(20,26)19-11-7-4-8-12-19/h3-12,20,26H,13-17H2,1-2H3
InChIKeyPNWIRUFZUVWQGP-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.53
Rot. Bonds5

About 1-[3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone

1-[3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone (PubChem CID 171344130) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone
PubChem CID171344130
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone
SMILESCN(C)CC1CN(C(=O)Cc2ccccc2)CCC1(O)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-23(2)16-20-17-24(21(25)15-18-9-5-3-6-10-18)14-13-22(20,26)19-11-7-4-8-12-19/h3-12,20,26H,13-17H2,1-2H3
InChIKeyPNWIRUFZUVWQGP-UHFFFAOYSA-N
XLogP2.53
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone (CID 171344130) is 1-[3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone is CN(C)CC1CN(C(=O)Cc2ccccc2)CCC1(O)c1ccccc1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone?
The InChIKey is PNWIRUFZUVWQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-23(2)16-20-17-24(21(25)15-18-9-5-3-6-10-18)14-13-22(20,26)19-11-7-4-8-12-19/h3-12,20,26H,13-17H2,1-2H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone?
1-[3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone has a molecular weight of 352.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 171344130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).