1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride

C15H23ClN2O3 — CID 119377741

IUPAC1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
SMILESCOc1ccc(OCCC(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-13-4-6-14(7-5-13)20-10-8-15(18)17-9-2-3-12(16)11-17;/h4-7,12H,2-3,8-11,16H2,1H3;1H
InChIKeyYUXBKLUQDFIFOT-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.84
Rot. Bonds5

About 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride

1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride (PubChem CID 119377741) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
PubChem CID119377741
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
SMILESCOc1ccc(OCCC(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-13-4-6-14(7-5-13)20-10-8-15(18)17-9-2-3-12(16)11-17;/h4-7,12H,2-3,8-11,16H2,1H3;1H
InChIKeyYUXBKLUQDFIFOT-UHFFFAOYSA-N
XLogP1.84
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119483773
3-(4-methoxyphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119395321
3-methoxy-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 70716586
1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 124593466
4-(4-methoxyphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119394876
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911
4-(4-methoxyphenoxy)-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119487644
1-(3-aminopiperidin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione
CID 119377036
1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride
CID 119378404
1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119934448
4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide
CID 124699526
1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one
CID 119380064

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride (CID 119377741) is 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride is COc1ccc(OCCC(=O)N2CCCC(N)C2)cc1.Cl.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride?
The InChIKey is YUXBKLUQDFIFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-19-13-4-6-14(7-5-13)20-10-8-15(18)17-9-2-3-12(16)11-17;/h4-7,12H,2-3,8-11,16H2,1H3;1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride?
1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.84, 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-(4-methoxyphenoxy)propan-1-one;hydrochloride is sourced from PubChem (CID 119377741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).