3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one

C16H24N2O2 — CID 43416045

IUPAC3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCN(C)c1ccc(CCC(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-17(2)14-6-3-13(4-7-14)5-8-16(20)18-11-9-15(19)10-12-18/h3-4,6-7,15,19H,5,8-12H2,1-2H3
InChIKeyQKLZHRYENXCSTR-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.67
Rot. Bonds4

About 3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one

3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 43416045) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID43416045
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCN(C)c1ccc(CCC(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-17(2)14-6-3-13(4-7-14)5-8-16(20)18-11-9-15(19)10-12-18/h3-4,6-7,15,19H,5,8-12H2,1-2H3
InChIKeyQKLZHRYENXCSTR-UHFFFAOYSA-N
XLogP1.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one
CID 79410179
3-[4-(dimethylamino)phenyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62370948
[1-[3-[4-(dimethylamino)phenyl]propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 118795576
1-(4-hydroxypiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 111108326
1-[4-(dimethylamino)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 110483853
3-(4-chlorophenyl)-1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]propan-1-one
CID 108536950
3-(4-tert-butylphenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561168
3-[4-(dimethylamino)phenyl]-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 66261236
4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693
(E)-3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 43415977
1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62917256
1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one
CID 109378494

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 43416045) is 3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one is CN(C)c1ccc(CCC(=O)N2CCC(O)CC2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is QKLZHRYENXCSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17(2)14-6-3-13(4-7-14)5-8-16(20)18-11-9-15(19)10-12-18/h3-4,6-7,15,19H,5,8-12H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one?
3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 43416045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).