(5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone

C14H20FN3O — CID 43585610

IUPAC(5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc(N)ccc2F)CC1
InChIInChI=1S/C14H20FN3O/c1-17(2)11-5-7-18(8-6-11)14(19)12-9-10(16)3-4-13(12)15/h3-4,9,11H,5-8,16H2,1-2H3
InChIKeyPNFPBRRNBXFDKB-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.57
Rot. Bonds2

About (5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone

(5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 43585610) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is (5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID43585610
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name(5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc(N)ccc2F)CC1
InChIInChI=1S/C14H20FN3O/c1-17(2)11-5-7-18(8-6-11)14(19)12-9-10(16)3-4-13(12)15/h3-4,9,11H,5-8,16H2,1-2H3
InChIKeyPNFPBRRNBXFDKB-UHFFFAOYSA-N
XLogP1.57
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917475
[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 61107768
(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165270
(5-amino-2-fluorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79188191
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63184756
[5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165923
(5-amino-2-methyl-3-pyridinyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 54917256
(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211692
(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63157430
(5-amino-2-fluorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604305
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210518
(2-bromo-5-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430553

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone (CID 43585610) is (5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2cc(N)ccc2F)CC1.
What is the InChIKey of (5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is PNFPBRRNBXFDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-17(2)11-5-7-18(8-6-11)14(19)12-9-10(16)3-4-13(12)15/h3-4,9,11H,5-8,16H2,1-2H3.
What are the key properties of (5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone?
(5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 265.33 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 43585610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).