3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide

C14H21FN4 — CID 54937463

IUPAC3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H21FN4/c1-11(14(16)17)10-18-6-8-19(9-7-18)13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3,(H3,16,17)
InChIKeyAEFJVHAWNXJNDJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.52
Rot. Bonds4

About 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide

3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide (PubChem CID 54937463) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide
PubChem CID54937463
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC Name3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H21FN4/c1-11(14(16)17)10-18-6-8-19(9-7-18)13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3,(H3,16,17)
InChIKeyAEFJVHAWNXJNDJ-UHFFFAOYSA-N
XLogP1.52
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.52
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

methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide
CID 63570573
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 64790373
(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28775333
(2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476125
(2S)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476124
1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 116679480
3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide
CID 43367984
3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide
CID 61432783
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide (CID 54937463) is 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide?
The InChIKey is AEFJVHAWNXJNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4/c1-11(14(16)17)10-18-6-8-19(9-7-18)13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3,(H3,16,17).
What are the key properties of 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide?
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide has a molecular weight of 264.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide is sourced from PubChem (CID 54937463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).