1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one

C20H32N2O2 — CID 60559753

IUPAC1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
SMILESCc1ccc(C(C)C)cc1OC(C)C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C20H32N2O2/c1-14(2)17-8-7-15(3)19(13-17)24-16(4)20(23)22-11-9-18(10-12-22)21(5)6/h7-8,13-14,16,18H,9-12H2,1-6H3
InChIKeyUDIFIHZSTOUJLZ-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.44
Rot. Bonds5

About 1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one

1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one (PubChem CID 60559753) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
PubChem CID60559753
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
SMILESCc1ccc(C(C)C)cc1OC(C)C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C20H32N2O2/c1-14(2)17-8-7-15(3)19(13-17)24-16(4)20(23)22-11-9-18(10-12-22)21(5)6/h7-8,13-14,16,18H,9-12H2,1-6H3
InChIKeyUDIFIHZSTOUJLZ-UHFFFAOYSA-N
XLogP3.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(2-methyl-5-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119178706
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one;hydrochloride
CID 119412814
1-(2,6-dimethylmorpholin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
CID 112787778
4-fluoro-N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 60511292
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
CID 119634031
1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793798
(2R)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
CID 95301470
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
CID 119651574
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 47115044
2-[[1-[2-(4-chloro-2-methylphenoxy)propanoyl]piperidin-4-yl]-methylamino]acetic acid
CID 129003108
2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389695
(2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
CID 124567680

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one?
The IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one (CID 60559753) is 1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one?
The canonical SMILES for 1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one is Cc1ccc(C(C)C)cc1OC(C)C(=O)N1CCC(N(C)C)CC1.
What is the InChIKey of 1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one?
The InChIKey is UDIFIHZSTOUJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-14(2)17-8-7-15(3)19(13-17)24-16(4)20(23)22-11-9-18(10-12-22)21(5)6/h7-8,13-14,16,18H,9-12H2,1-6H3.
What are the key properties of 1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one?
1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one has a molecular weight of 332.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 60559753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).