[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C15H22N2O2 — CID 80718582

IUPAC[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCN(C)c1ccc(C(=O)N2CCC(C)(O)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-15(19)8-10-17(11-9-15)14(18)12-4-6-13(7-5-12)16(2)3/h4-7,19H,8-11H2,1-3H3
InChIKeyLVRSIRKXJXGWAC-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.74
Rot. Bonds2

About [4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone

[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 80718582) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID80718582
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCN(C)c1ccc(C(=O)N2CCC(C)(O)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-15(19)8-10-17(11-9-15)14(18)12-4-6-13(7-5-12)16(2)3/h4-7,19H,8-11H2,1-3H3
InChIKeyLVRSIRKXJXGWAC-UHFFFAOYSA-N
XLogP1.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 81109311
(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706809
[4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 11515524
(4-hydroxy-4-methylazepan-1-yl)-(4-sulfanylphenyl)methanone
CID 107408930
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
(3,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103957511
[4-(dimethylamino)phenyl]-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131648723
1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid
CID 63133492
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 80701731
4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione
CID 66084706
[4-(dimethylamino)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 78322536

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 80718582) is [4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CN(C)c1ccc(C(=O)N2CCC(C)(O)CC2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is LVRSIRKXJXGWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(19)8-10-17(11-9-15)14(18)12-4-6-13(7-5-12)16(2)3/h4-7,19H,8-11H2,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 80718582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).