4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride

C17H27ClN2O3 — CID 119559826

IUPAC4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCNC1CCN(C(=O)CCCOc2ccc(OC)cc2)CC1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-18-14-9-11-19(12-10-14)17(20)4-3-13-22-16-7-5-15(21-2)6-8-16;/h5-8,14,18H,3-4,9-13H2,1-2H3;1H
InChIKeyGTMNEDUPQHADCD-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.49
Rot. Bonds7

About 4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride

4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119559826) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID119559826
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCNC1CCN(C(=O)CCCOc2ccc(OC)cc2)CC1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-18-14-9-11-19(12-10-14)17(20)4-3-13-22-16-7-5-15(21-2)6-8-16;/h5-8,14,18H,3-4,9-13H2,1-2H3;1H
InChIKeyGTMNEDUPQHADCD-UHFFFAOYSA-N
XLogP2.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenoxy)-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119487644
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 119644268
4-methoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548924
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119563084
4-(4-methoxyphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119394876
3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550599
1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119561175
2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108558499
1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119373343
4-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119562734
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119517254

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride (CID 119559826) is 4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride is CNC1CCN(C(=O)CCCOc2ccc(OC)cc2)CC1.Cl.
What is the InChIKey of 4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is GTMNEDUPQHADCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-18-14-9-11-19(12-10-14)17(20)4-3-13-22-16-7-5-15(21-2)6-8-16;/h5-8,14,18H,3-4,9-13H2,1-2H3;1H.
What are the key properties of 4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride?
4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119559826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).