1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one

C18H28N2O2 — CID 92925662

IUPAC1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one
SMILESCC(C)c1cccc(OC(C)(C)C(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C18H28N2O2/c1-13(2)14-6-5-7-16(12-14)22-18(3,4)17(21)20-10-8-15(19)9-11-20/h5-7,12-13,15H,8-11,19H2,1-4H3
InChIKeyMKJYDDXWQNCSDS-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one

1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one (PubChem CID 92925662) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one
PubChem CID92925662
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one
SMILESCC(C)c1cccc(OC(C)(C)C(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C18H28N2O2/c1-13(2)14-6-5-7-16(12-14)22-18(3,4)17(21)20-10-8-15(19)9-11-20/h5-7,12-13,15H,8-11,19H2,1-4H3
InChIKeyMKJYDDXWQNCSDS-UHFFFAOYSA-N
XLogP2.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110023182
2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
CID 87872491
1-(4-aminopiperidin-1-yl)-2-methyl-2-(2-prop-2-enylphenoxy)propan-1-one
CID 92925332
N-(4-aminocyclohexyl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 119475379
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
CID 66262261
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 78767912
1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone
CID 119560633
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
CID 754662
2-(4-fluorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 60956642
(4-aminopiperidin-1-yl)-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid
CID 71514931

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one (CID 92925662) is 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one is CC(C)c1cccc(OC(C)(C)C(=O)N2CCC(N)CC2)c1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one?
The InChIKey is MKJYDDXWQNCSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)14-6-5-7-16(12-14)22-18(3,4)17(21)20-10-8-15(19)9-11-20/h5-7,12-13,15H,8-11,19H2,1-4H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one?
1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 92925662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).