(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone

C16H23FN2O — CID 63157430

IUPAC(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cc(N)ccc2F)CC1
InChIInChI=1S/C16H23FN2O/c1-3-16(4-2)7-9-19(10-8-16)15(20)13-11-12(18)5-6-14(13)17/h5-6,11H,3-4,7-10,18H2,1-2H3
InChIKeyCLYQCURPZOSKAB-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.45
Rot. Bonds3

About (5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone

(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone (PubChem CID 63157430) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
PubChem CID63157430
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cc(N)ccc2F)CC1
InChIInChI=1S/C16H23FN2O/c1-3-16(4-2)7-9-19(10-8-16)15(20)13-11-12(18)5-6-14(13)17/h5-6,11H,3-4,7-10,18H2,1-2H3
InChIKeyCLYQCURPZOSKAB-UHFFFAOYSA-N
XLogP3.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63156762
(5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62938056
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355036
(5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210704
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210518
(4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299098
(2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107075240
(4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63213419
(5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43585610
2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 61114166
(5-amino-2-fluorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79188191
[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 61107768

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone (CID 63157430) is (5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone is CCC1(CC)CCN(C(=O)c2cc(N)ccc2F)CC1.
What is the InChIKey of (5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The InChIKey is CLYQCURPZOSKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-16(4-2)7-9-19(10-8-16)15(20)13-11-12(18)5-6-14(13)17/h5-6,11H,3-4,7-10,18H2,1-2H3.
What are the key properties of (5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone?
(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone has a molecular weight of 278.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone is sourced from PubChem (CID 63157430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).