1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride

C16H25ClN2O3 — CID 119378404

IUPAC1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride
SMILESCOc1cc(CCC(=O)N2CCCC(N)C2)cc(OC)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-20-14-8-12(9-15(10-14)21-2)5-6-16(19)18-7-3-4-13(17)11-18;/h8-10,13H,3-7,11,17H2,1-2H3;1H
InChIKeyJAGHKWDWIWIFON-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.01
Rot. Bonds5

About 1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride

1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride (PubChem CID 119378404) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride
PubChem CID119378404
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride
SMILESCOc1cc(CCC(=O)N2CCCC(N)C2)cc(OC)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-20-14-8-12(9-15(10-14)21-2)5-6-16(19)18-7-3-4-13(17)11-18;/h8-10,13H,3-7,11,17H2,1-2H3;1H
InChIKeyJAGHKWDWIWIFON-UHFFFAOYSA-N
XLogP2.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 124628214
1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119934448
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119377861
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119377862
(3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119377142
1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119377741
1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride
CID 119381224
methyl 4-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]benzoate
CID 167311588
1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 115277223
1-(3-aminopiperidin-1-yl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one;hydrochloride
CID 119379360
3-(3,5-dimethoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119560882

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride (CID 119378404) is 1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride is COc1cc(CCC(=O)N2CCCC(N)C2)cc(OC)c1.Cl.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride?
The InChIKey is JAGHKWDWIWIFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-20-14-8-12(9-15(10-14)21-2)5-6-16(19)18-7-3-4-13(17)11-18;/h8-10,13H,3-7,11,17H2,1-2H3;1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride?
1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 119378404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).