1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one

C16H24N2O2 — CID 79867710

IUPAC1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one
SMILESCc1cccc(OCCC(=O)N2CCC(N)C(C)C2)c1
InChIInChI=1S/C16H24N2O2/c1-12-4-3-5-14(10-12)20-9-7-16(19)18-8-6-15(17)13(2)11-18/h3-5,10,13,15H,6-9,11,17H2,1-2H3
InChIKeyHTBULMNOHNTFEU-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.96
Rot. Bonds4

About 1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one

1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one (PubChem CID 79867710) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one
PubChem CID79867710
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one
SMILESCc1cccc(OCCC(=O)N2CCC(N)C(C)C2)c1
InChIInChI=1S/C16H24N2O2/c1-12-4-3-5-14(10-12)20-9-7-16(19)18-8-6-15(17)13(2)11-18/h3-5,10,13,15H,6-9,11,17H2,1-2H3
InChIKeyHTBULMNOHNTFEU-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylamino)pyrrolidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 81466275
4-methyl-1-[3-(3-methylphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63720461
3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418099
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 79880159
1-[3-(aminomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride
CID 119464975
1-[4-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80678009
1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
CID 119374179
1-[3-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80660691
1-(4-amino-3,3-dimethylpiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
CID 120819975
1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one
CID 81458301
1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one
CID 24708517
3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one?
The IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one (CID 79867710) is 1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one?
The canonical SMILES for 1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one is Cc1cccc(OCCC(=O)N2CCC(N)C(C)C2)c1.
What is the InChIKey of 1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one?
The InChIKey is HTBULMNOHNTFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-4-3-5-14(10-12)20-9-7-16(19)18-8-6-15(17)13(2)11-18/h3-5,10,13,15H,6-9,11,17H2,1-2H3.
What are the key properties of 1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one?
1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one is sourced from PubChem (CID 79867710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).