2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride

C18H27ClN2O3 — CID 120817481

IUPAC2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCC(=O)c1cccc(OC(C)C(=O)N2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-12(21)14-6-5-7-15(10-14)23-13(2)17(22)20-9-8-16(19)18(3,4)11-20;/h5-7,10,13,16H,8-9,11,19H2,1-4H3;1H
InChIKeyLXTIYUUWAOFYSJ-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.66
Rot. Bonds4

About 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride

2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride (PubChem CID 120817481) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride
PubChem CID120817481
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCC(=O)c1cccc(OC(C)C(=O)N2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-12(21)14-6-5-7-15(10-14)23-13(2)17(22)20-9-8-16(19)18(3,4)11-20;/h5-7,10,13,16H,8-9,11,19H2,1-4H3;1H
InChIKeyLXTIYUUWAOFYSJ-UHFFFAOYSA-N
XLogP2.66
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-dichlorophenoxy)propan-1-one;hydrochloride
CID 120818509
2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
CID 120815322
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one
CID 120818307
2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one
CID 167869171
2-(3-acetylphenoxy)-1-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 119661893
(2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one
CID 95040653
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one;hydrochloride
CID 120815937
2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622024
2-(3-acetylphenoxy)-1-[2-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119631303
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride
CID 120819720
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3-chlorophenoxy)propan-1-one;hydrochloride
CID 119934342

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride (CID 120817481) is 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride is CC(=O)c1cccc(OC(C)C(=O)N2CCC(N)C(C)(C)C2)c1.Cl.
What is the InChIKey of 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is LXTIYUUWAOFYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-12(21)14-6-5-7-15(10-14)23-13(2)17(22)20-9-8-16(19)18(3,4)11-20;/h5-7,10,13,16H,8-9,11,19H2,1-4H3;1H.
What are the key properties of 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride?
2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120817481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).