2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide

C14H23IN4 — CID 110893080

IUPAC2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
SMILESI.NC(N)=NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C14H22N4.HI/c15-14(16)17-10-12-4-6-13(7-5-12)11-18-8-2-1-3-9-18;/h4-7H,1-3,8-11H2,(H4,15,16,17);1H
InChIKeyPOZIENFZCCNTEE-UHFFFAOYSA-N
MW374.27 g/mol
LogP2.06
Rot. Bonds4

About 2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide

2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide (PubChem CID 110893080) has the molecular formula C14H23IN4 and a molecular weight of 374.27 g/mol. Its IUPAC name is 2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
PubChem CID110893080
Molecular FormulaC14H23IN4
Molecular Weight374.27 g/mol
Exact Mass374.10
IUPAC Name2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
SMILESI.NC(N)=NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C14H22N4.HI/c15-14(16)17-10-12-4-6-13(7-5-12)11-18-8-2-1-3-9-18;/h4-7H,1-3,8-11H2,(H4,15,16,17);1H
InChIKeyPOZIENFZCCNTEE-UHFFFAOYSA-N
XLogP2.06
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N'-[(4-chlorophenyl)methyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanimidamide
CID 58742459
2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1-propylguanidine;hydroiodide
CID 111036355
1,1,3,3-tetramethyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111035331
1-(cyclobutylmethyl)-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036389
1-butyl-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036349
1-cyclopropyl-1-methyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110029615
2-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111087115
1-(4-ethylphenyl)-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111035326
4-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24701931
1-(3-ethoxypropyl)-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036373
2-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111087104
2-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111087128

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide (CID 110893080) is 2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide is I.NC(N)=NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is POZIENFZCCNTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4.HI/c15-14(16)17-10-12-4-6-13(7-5-12)11-18-8-2-1-3-9-18;/h4-7H,1-3,8-11H2,(H4,15,16,17);1H.
What are the key properties of 2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide?
2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 374.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 110893080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).