(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone

C13H16F2N2O — CID 55160201

IUPAC(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(F)c(N)c(F)c2)CC1
InChIInChI=1S/C13H16F2N2O/c1-8-2-4-17(5-3-8)13(18)9-6-10(14)12(16)11(15)7-9/h6-8H,2-5,16H2,1H3
InChIKeyQYOTZPXUUJRFEP-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.42
Rot. Bonds1

About (4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone

(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 55160201) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is (4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID55160201
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(F)c(N)c(F)c2)CC1
InChIInChI=1S/C13H16F2N2O/c1-8-2-4-17(5-3-8)13(18)9-6-10(14)12(16)11(15)7-9/h6-8H,2-5,16H2,1H3
InChIKeyQYOTZPXUUJRFEP-UHFFFAOYSA-N
XLogP2.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.42
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

(4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 63185506
(4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 63185244
(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
CID 63187366
(3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 176513313
[3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone
CID 63626543
(4-amino-3,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 63186086
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864
(4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110762195
(2-amino-4-bromo-5-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 114278145
(4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone
CID 172647132

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone (CID 55160201) is (4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(F)c(N)c(F)c2)CC1.
What is the InChIKey of (4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is QYOTZPXUUJRFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8-2-4-17(5-3-8)13(18)9-6-10(14)12(16)11(15)7-9/h6-8H,2-5,16H2,1H3.
What are the key properties of (4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone?
(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 254.28 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 55160201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).