[4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone

C16H22F2N2O3 — CID 119662118

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
SMILESNCCCOC1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C16H22F2N2O3/c17-16(18)23-14-5-2-1-4-13(14)15(21)20-9-6-12(7-10-20)22-11-3-8-19/h1-2,4-5,12,16H,3,6-11,19H2
InChIKeyGHTUBSMOYASJLY-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.26
Rot. Bonds7

About [4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone

[4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone (PubChem CID 119662118) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
PubChem CID119662118
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
SMILESNCCCOC1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C16H22F2N2O3/c17-16(18)23-14-5-2-1-4-13(14)15(21)20-9-6-12(7-10-20)22-11-3-8-19/h1-2,4-5,12,16H,3,6-11,19H2
InChIKeyGHTUBSMOYASJLY-UHFFFAOYSA-N
XLogP2.26
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.26
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-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride
CID 119662357
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2-ethoxyphenoxy)phenyl]methanone;hydrochloride
CID 119663930
4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one
CID 119278804
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone;hydrochloride
CID 119664700
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098277
[4-(3-aminopropoxy)piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86778691
1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
CID 119663605
[4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride
CID 119664484
[2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 95179553
[4-(3-aminopropoxy)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677184
[2-(difluoromethoxy)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029867

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone (CID 119662118) is [4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone is NCCCOC1CCN(C(=O)c2ccccc2OC(F)F)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone?
The InChIKey is GHTUBSMOYASJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c17-16(18)23-14-5-2-1-4-13(14)15(21)20-9-6-12(7-10-20)22-11-3-8-19/h1-2,4-5,12,16H,3,6-11,19H2.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone has a molecular weight of 328.36 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 119662118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).