1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride

C16H23ClF2N2O3 — CID 119662482

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)COc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H22F2N2O3.ClH/c17-12-2-3-15(14(18)10-12)23-11-16(21)20-7-4-13(5-8-20)22-9-1-6-19;/h2-3,10,13H,1,4-9,11,19H2;1H
InChIKeyKFIHWXQETLJGQU-UHFFFAOYSA-N
MW364.82 g/mol
LogP2.12
Rot. Bonds7

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride (PubChem CID 119662482) has the molecular formula C16H23ClF2N2O3 and a molecular weight of 364.82 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride
PubChem CID119662482
Molecular FormulaC16H23ClF2N2O3
Molecular Weight364.82 g/mol
Exact Mass364.14
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)COc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H22F2N2O3.ClH/c17-12-2-3-15(14(18)10-12)23-11-16(21)20-7-4-13(5-8-20)22-9-1-6-19;/h2-3,10,13H,1,4-9,11,19H2;1H
InChIKeyKFIHWXQETLJGQU-UHFFFAOYSA-N
XLogP2.12
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.82
LogP ≤ 52.12
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

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119661488
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,5-difluorophenyl)ethanone;hydrochloride
CID 119662837
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119664033
[4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride
CID 119664484
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2,4-difluorophenoxy)ethanone
CID 119484445
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 119662771
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-chloro-2-methylphenoxy)ethanone
CID 119664301
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(3-fluorophenoxy)butan-1-one;hydrochloride
CID 119663996
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 79736194
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 119663615
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2,4-difluorophenyl)cyclopropyl]methanone
CID 119663551

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride (CID 119662482) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride is Cl.NCCCOC1CCN(C(=O)COc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride?
The InChIKey is KFIHWXQETLJGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3.ClH/c17-12-2-3-15(14(18)10-12)23-11-16(21)20-7-4-13(5-8-20)22-9-1-6-19;/h2-3,10,13H,1,4-9,11,19H2;1H.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride?
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride has a molecular weight of 364.82 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride is sourced from PubChem (CID 119662482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).