(3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone

C14H18F2N2O — CID 82816396

IUPAC(3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)N2CC(C)CC(N)C2)c1F
InChIInChI=1S/C14H18F2N2O/c1-8-5-10(17)7-18(6-8)14(19)12-11(15)4-3-9(2)13(12)16/h3-4,8,10H,5-7,17H2,1-2H3
InChIKeyJBHPDWKUEJQMAF-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.08
Rot. Bonds1

About (3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone

(3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone (PubChem CID 82816396) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is (3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
PubChem CID82816396
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)N2CC(C)CC(N)C2)c1F
InChIInChI=1S/C14H18F2N2O/c1-8-5-10(17)7-18(6-8)14(19)12-11(15)4-3-9(2)13(12)16/h3-4,8,10H,5-7,17H2,1-2H3
InChIKeyJBHPDWKUEJQMAF-UHFFFAOYSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)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

(3-aminopyrrolidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82815863
(3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 79993239
[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 56875020
(3-amino-5-methylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 79994422
(3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone
CID 79993492
(3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107690384
(2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 898638
(2,6-difluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 82816607
(3-chloro-4-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 102961430
1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one
CID 114499849
[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 56869344
(3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 79994306

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone?
The IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone (CID 82816396) is (3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone.
What is the SMILES notation for (3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone?
The canonical SMILES for (3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone is Cc1ccc(F)c(C(=O)N2CC(C)CC(N)C2)c1F.
What is the InChIKey of (3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone?
The InChIKey is JBHPDWKUEJQMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-8-5-10(17)7-18(6-8)14(19)12-11(15)4-3-9(2)13(12)16/h3-4,8,10H,5-7,17H2,1-2H3.
What are the key properties of (3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone?
(3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone has a molecular weight of 268.31 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone is sourced from PubChem (CID 82816396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).