3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide

C14H19F2N3O — CID 81294206

IUPAC3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N2CCC(COC)CC2)c(F)c1
InChIInChI=1S/C14H19F2N3O/c1-20-8-9-2-4-19(5-3-9)13-11(15)6-10(14(17)18)7-12(13)16/h6-7,9H,2-5,8H2,1H3,(H3,17,18)
InChIKeyPPTBNLBMORWEMQ-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.11
Rot. Bonds4

About 3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide

3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide (PubChem CID 81294206) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
PubChem CID81294206
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N2CCC(COC)CC2)c(F)c1
InChIInChI=1S/C14H19F2N3O/c1-20-8-9-2-4-19(5-3-9)13-11(15)6-10(14(17)18)7-12(13)16/h6-7,9H,2-5,8H2,1H3,(H3,17,18)
InChIKeyPPTBNLBMORWEMQ-UHFFFAOYSA-N
XLogP2.11
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81285537
3,5-difluoro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)benzenecarboximidamide
CID 81285670
3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 81293618
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,5-difluorobenzenecarboximidamide
CID 81285395
3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 64598339
3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide
CID 81294670
3-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 82799530
4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide
CID 81293736
3,5-difluoro-4-(1,4-thiazepan-4-yl)benzenecarboximidamide
CID 81294385
4-[cyclopropyl(2-methoxyethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81294570
3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 43658309
4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81293713

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide (CID 81294206) is 3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(N2CCC(COC)CC2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide?
The InChIKey is PPTBNLBMORWEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-20-8-9-2-4-19(5-3-9)13-11(15)6-10(14(17)18)7-12(13)16/h6-7,9H,2-5,8H2,1H3,(H3,17,18).
What are the key properties of 3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide?
3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide has a molecular weight of 283.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 81294206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).