2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine

C15H22FN5 — CID 168590664

IUPAC2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine
SMILESCC1CCCCN1Cc1cc(F)ccc1C=NN=C(N)N
InChIInChI=1S/C15H22FN5/c1-11-4-2-3-7-21(11)10-13-8-14(16)6-5-12(13)9-19-20-15(17)18/h5-6,8-9,11H,2-4,7,10H2,1H3,(H4,17,18,20)
InChIKeyHUJPCULJGRJBDI-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.81
Rot. Bonds4

About 2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine

2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine (PubChem CID 168590664) has the molecular formula C15H22FN5 and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine
PubChem CID168590664
Molecular FormulaC15H22FN5
Molecular Weight291.37 g/mol
Exact Mass291.19
IUPAC Name2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine
SMILESCC1CCCCN1Cc1cc(F)ccc1C=NN=C(N)N
InChIInChI=1S/C15H22FN5/c1-11-4-2-3-7-21(11)10-13-8-14(16)6-5-12(13)9-19-20-15(17)18/h5-6,8-9,11H,2-4,7,10H2,1H3,(H4,17,18,20)
InChIKeyHUJPCULJGRJBDI-UHFFFAOYSA-N
XLogP1.81
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.81
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine (CID 168590664) is 2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine is CC1CCCCN1Cc1cc(F)ccc1C=NN=C(N)N.
What is the InChIKey of 2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine?
The InChIKey is HUJPCULJGRJBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5/c1-11-4-2-3-7-21(11)10-13-8-14(16)6-5-12(13)9-19-20-15(17)18/h5-6,8-9,11H,2-4,7,10H2,1H3,(H4,17,18,20).
What are the key properties of 2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine?
2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine has a molecular weight of 291.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).