4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide

C16H23F2N3 — CID 81285537

IUPAC4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N2CCC(C(C)(C)C)CC2)c(F)c1
InChIInChI=1S/C16H23F2N3/c1-16(2,3)11-4-6-21(7-5-11)14-12(17)8-10(15(19)20)9-13(14)18/h8-9,11H,4-7H2,1-3H3,(H3,19,20)
InChIKeyWPDUKPJOWJUGPC-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.51
Rot. Bonds2

About 4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide

4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide (PubChem CID 81285537) has the molecular formula C16H23F2N3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
PubChem CID81285537
Molecular FormulaC16H23F2N3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N2CCC(C(C)(C)C)CC2)c(F)c1
InChIInChI=1S/C16H23F2N3/c1-16(2,3)11-4-6-21(7-5-11)14-12(17)8-10(15(19)20)9-13(14)18/h8-9,11H,4-7H2,1-3H3,(H3,19,20)
InChIKeyWPDUKPJOWJUGPC-UHFFFAOYSA-N
XLogP3.51
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 81294206
3,5-difluoro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)benzenecarboximidamide
CID 81285670
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,5-difluorobenzenecarboximidamide
CID 81285395
3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide
CID 81294670
3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 81293618
4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide
CID 81293736
3,5-difluoro-4-(1,4-thiazepan-4-yl)benzenecarboximidamide
CID 81294385
2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide
CID 63094202
4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81285524
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,5-difluorobenzenecarboximidamide
CID 82750380
2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550402
2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide
CID 107279256

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide (CID 81285537) is 4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(N2CCC(C(C)(C)C)CC2)c(F)c1.
What is the InChIKey of 4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide?
The InChIKey is WPDUKPJOWJUGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3/c1-16(2,3)11-4-6-21(7-5-11)14-12(17)8-10(15(19)20)9-13(14)18/h8-9,11H,4-7H2,1-3H3,(H3,19,20).
What are the key properties of 4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide?
4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide has a molecular weight of 295.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81285537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).