(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

C12H15FN2O2 — CID 107211692

IUPAC(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNc1ccc(F)c(C(=O)N2CCC[C@H](O)C2)c1
InChIInChI=1S/C12H15FN2O2/c13-11-4-3-8(14)6-10(11)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7,14H2/t9-/m0/s1
InChIKeyNBDXJGJEUOIPCU-VIFPVBQESA-N
MW238.26 g/mol
LogP1.00
Rot. Bonds1

About (5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107211692) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is (5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107211692
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNc1ccc(F)c(C(=O)N2CCC[C@H](O)C2)c1
InChIInChI=1S/C12H15FN2O2/c13-11-4-3-8(14)6-10(11)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7,14H2/t9-/m0/s1
InChIKeyNBDXJGJEUOIPCU-VIFPVBQESA-N
XLogP1.00
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917475
(5-amino-2-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61101822
(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211689
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
3-[4-fluoro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid
CID 76907212
(5-amino-2-fluorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604305
4,5-difluoro-2-[(3S)-3-hydroxypiperidine-1-carbonyl]benzoic acid
CID 107214958
(4-chloro-2,5-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 82772196
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
(5-amino-2-fluorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79188191
(5-amino-4-fluoro-2-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62186321
[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 61107768

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107211692) is (5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is Nc1ccc(F)c(C(=O)N2CCC[C@H](O)C2)c1.
What is the InChIKey of (5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is NBDXJGJEUOIPCU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-11-4-3-8(14)6-10(11)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7,14H2/t9-/m0/s1.
What are the key properties of (5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 238.26 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107211692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).