2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C20H27FIN5O — CID 111068410

IUPAC2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc(N2CCC(O)CC2)c(F)c1)NCCc1ccccn1
InChIInChI=1S/C20H26FN5O.HI/c21-18-13-15(4-5-19(18)26-11-7-17(27)8-12-26)14-25-20(22)24-10-6-16-3-1-2-9-23-16;/h1-5,9,13,17,27H,6-8,10-12,14H2,(H3,22,24,25);1H
InChIKeyXEKVVTNMFCRYCH-UHFFFAOYSA-N
MW499.37 g/mol
LogP2.45
Rot. Bonds6

About 2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111068410) has the molecular formula C20H27FIN5O and a molecular weight of 499.37 g/mol. Its IUPAC name is 2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111068410
Molecular FormulaC20H27FIN5O
Molecular Weight499.37 g/mol
Exact Mass499.12
IUPAC Name2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc(N2CCC(O)CC2)c(F)c1)NCCc1ccccn1
InChIInChI=1S/C20H26FN5O.HI/c21-18-13-15(4-5-19(18)26-11-7-17(27)8-12-26)14-25-20(22)24-10-6-16-3-1-2-9-23-16;/h1-5,9,13,17,27H,6-8,10-12,14H2,(H3,22,24,25);1H
InChIKeyXEKVVTNMFCRYCH-UHFFFAOYSA-N
XLogP2.45
TPSA86.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111083165
1-ethyl-2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111136328
2-[(3-hydroxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 75532909
1-(3,4-dimethoxyphenyl)-2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111068408
N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111068448
2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721266
1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol
CID 56796904
2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111037288
1-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111762416
2-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-1-propylguanidine;hydroiodide
CID 111805393
2-[[4-(phenoxymethyl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111054276
3-benzyl-2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1,1-dimethylguanidine
CID 111068451

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111068410) is 2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is I.N/C(=N\Cc1ccc(N2CCC(O)CC2)c(F)c1)NCCc1ccccn1.
What is the InChIKey of 2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is XEKVVTNMFCRYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O.HI/c21-18-13-15(4-5-19(18)26-11-7-17(27)8-12-26)14-25-20(22)24-10-6-16-3-1-2-9-23-16;/h1-5,9,13,17,27H,6-8,10-12,14H2,(H3,22,24,25);1H.
What are the key properties of 2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 499.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111068410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).