1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide

C13H17F2N3 — CID 105403809

IUPAC1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H17F2N3/c14-11-5-9(6-12(15)7-11)8-18-3-1-10(2-4-18)13(16)17/h5-7,10H,1-4,8H2,(H3,16,17)
InChIKeyRRHIQVPHRZJEND-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.11
Rot. Bonds3

About 1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide

1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide (PubChem CID 105403809) has the molecular formula C13H17F2N3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide
PubChem CID105403809
Molecular FormulaC13H17F2N3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H17F2N3/c14-11-5-9(6-12(15)7-11)8-18-3-1-10(2-4-18)13(16)17/h5-7,10H,1-4,8H2,(H3,16,17)
InChIKeyRRHIQVPHRZJEND-UHFFFAOYSA-N
XLogP2.11
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.11
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

[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine
CID 67492267
3-fluoro-5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 112625806
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 162490790
1-[(3-fluoro-5-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4022885
1-(2-hydroxyethyl)piperidine-4-carboximidamide
CID 144816606
1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde
CID 105408634
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzenecarboximidamide
CID 115560114
1-(3,5-difluoro-2-pyridinyl)piperidine-4-carboximidamide
CID 112675528
1-(2,2-dimethylpropyl)piperidine-4-carboximidamide
CID 163564400
1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-4-carboximidamide
CID 64783767
1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 175878823
3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 103495761

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide (CID 105403809) is 1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide is [H]/N=C(\N)C1CCN(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide?
The InChIKey is RRHIQVPHRZJEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3/c14-11-5-9(6-12(15)7-11)8-18-3-1-10(2-4-18)13(16)17/h5-7,10H,1-4,8H2,(H3,16,17).
What are the key properties of 1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide?
1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide has a molecular weight of 253.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide is sourced from PubChem (CID 105403809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).