1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide

C18H29FIN5 — CID 110031138

IUPAC1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/CCCN1CCN(c2ccccc2F)CC1)C1CC1.I
InChIInChI=1S/C18H28FN5.HI/c1-22(15-7-8-15)18(20)21-9-4-10-23-11-13-24(14-12-23)17-6-3-2-5-16(17)19;/h2-3,5-6,15H,4,7-14H2,1H3,(H2,20,21);1H
InChIKeyYFZGCORNOPDKHN-UHFFFAOYSA-N
MW461.37 g/mol
LogP2.36
Rot. Bonds6

About 1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide

1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide (PubChem CID 110031138) has the molecular formula C18H29FIN5 and a molecular weight of 461.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide
PubChem CID110031138
Molecular FormulaC18H29FIN5
Molecular Weight461.37 g/mol
Exact Mass461.15
IUPAC Name1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/CCCN1CCN(c2ccccc2F)CC1)C1CC1.I
InChIInChI=1S/C18H28FN5.HI/c1-22(15-7-8-15)18(20)21-9-4-10-23-11-13-24(14-12-23)17-6-3-2-5-16(17)19;/h2-3,5-6,15H,4,7-14H2,1H3,(H2,20,21);1H
InChIKeyYFZGCORNOPDKHN-UHFFFAOYSA-N
XLogP2.36
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-2-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide
CID 110029609
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 76905940
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110029505
3-ethyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383396
1-cyclopropyl-1-methyl-2-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110030146
1-ethyl-3-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-propylguanidine;hydroiodide
CID 111763432
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919
1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol
CID 64818951
1-(2,5-dimethoxyphenyl)-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]guanidine
CID 111805716

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide (CID 110031138) is 1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide is CN(/C(N)=N/CCCN1CCN(c2ccccc2F)CC1)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide?
The InChIKey is YFZGCORNOPDKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN5.HI/c1-22(15-7-8-15)18(20)21-9-4-10-23-11-13-24(14-12-23)17-6-3-2-5-16(17)19;/h2-3,5-6,15H,4,7-14H2,1H3,(H2,20,21);1H.
What are the key properties of 1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide?
1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide has a molecular weight of 461.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110031138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).