1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone

C16H23FN2O2 — CID 79736194

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESNCCCOC1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN2O2/c17-14-4-1-3-13(11-14)12-16(20)19-8-5-15(6-9-19)21-10-2-7-18/h1,3-4,11,15H,2,5-10,12,18H2
InChIKeyJDRXKIVSEAQYGW-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.72
Rot. Bonds6

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone (PubChem CID 79736194) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
PubChem CID79736194
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESNCCCOC1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN2O2/c17-14-4-1-3-13(11-14)12-16(20)19-8-5-15(6-9-19)21-10-2-7-18/h1,3-4,11,15H,2,5-10,12,18H2
InChIKeyJDRXKIVSEAQYGW-UHFFFAOYSA-N
XLogP1.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methylphenyl)ethanone
CID 79737478
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-chlorophenyl)ethanone
CID 79736993
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-chlorophenyl)ethanone;hydrochloride
CID 86813278
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,5-difluorophenyl)ethanone;hydrochloride
CID 119662837
2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone
CID 91907818
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(3-fluorophenoxy)butan-1-one;hydrochloride
CID 119663996
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 119664009
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride
CID 119661818
7-amino-1-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepan-1-yl]heptan-1-one;hydrochloride
CID 119754789
[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(3-fluorophenoxy)methyl]phenyl]methanone;hydrochloride
CID 119663088
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride
CID 119662482
2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
CID 50846863

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone (CID 79736194) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone is NCCCOC1CCN(C(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
The InChIKey is JDRXKIVSEAQYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-14-4-1-3-13(11-14)12-16(20)19-8-5-15(6-9-19)21-10-2-7-18/h1,3-4,11,15H,2,5-10,12,18H2.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone has a molecular weight of 294.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 79736194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).