4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide

C15H21FN4 — CID 61441546

IUPAC4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(CC3CC3)CC2)c(F)c1
InChIInChI=1S/C15H21FN4/c16-13-9-12(15(17)18)3-4-14(13)20-7-5-19(6-8-20)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H3,17,18)
InChIKeyVDBQRNNMYDWNEN-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.64
Rot. Bonds4

About 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide

4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide (PubChem CID 61441546) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide
PubChem CID61441546
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(CC3CC3)CC2)c(F)c1
InChIInChI=1S/C15H21FN4/c16-13-9-12(15(17)18)3-4-14(13)20-7-5-19(6-8-20)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H3,17,18)
InChIKeyVDBQRNNMYDWNEN-UHFFFAOYSA-N
XLogP1.64
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.64
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

3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253607
3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253493
3-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 112625734
3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 43658309
4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide
CID 61433267
3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
CID 113417637
3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 66391530
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-methylbenzenecarboximidamide
CID 114483448
3-chloro-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]benzenecarboximidamide
CID 102667822
1-[3-fluoro-4-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenyl]ethanone
CID 120847538
4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide
CID 55050286
4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide
CID 43658320

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide (CID 61441546) is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCN(CC3CC3)CC2)c(F)c1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide?
The InChIKey is VDBQRNNMYDWNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c16-13-9-12(15(17)18)3-4-14(13)20-7-5-19(6-8-20)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H3,17,18).
What are the key properties of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide?
4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide has a molecular weight of 276.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 61441546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).