2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide

C15H29IN6 — CID 111320135

IUPAC2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccn[nH]1)NCC(C)(C)N1CCCCC1.I
InChIInChI=1S/C15H28N6.HI/c1-15(2,21-9-5-4-6-10-21)12-18-14(16-3)17-11-13-7-8-19-20-13;/h7-8H,4-6,9-12H2,1-3H3,(H,19,20)(H2,16,17,18);1H
InChIKeyOMPIYUQBNYPKSS-UHFFFAOYSA-N
MW420.34 g/mol
LogP1.96
Rot. Bonds5

About 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide

2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide (PubChem CID 111320135) has the molecular formula C15H29IN6 and a molecular weight of 420.34 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
PubChem CID111320135
Molecular FormulaC15H29IN6
Molecular Weight420.34 g/mol
Exact Mass420.15
IUPAC Name2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccn[nH]1)NCC(C)(C)N1CCCCC1.I
InChIInChI=1S/C15H28N6.HI/c1-15(2,21-9-5-4-6-10-21)12-18-14(16-3)17-11-13-7-8-19-20-13;/h7-8H,4-6,9-12H2,1-3H3,(H,19,20)(H2,16,17,18);1H
InChIKeyOMPIYUQBNYPKSS-UHFFFAOYSA-N
XLogP1.96
TPSA68.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 51.96
H-Bond Donors ≤ 53
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 111320616
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]guanidine;hydroiodide
CID 111795794
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111320619
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111948763
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[(1-methylpyrrol-3-yl)methyl]guanidine;hydroiodide
CID 111967480
1-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111321349
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111795786
1-[(2-ethoxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111320189
1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111319968
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111515544
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)guanidine;hydroiodide
CID 111320595
1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111321376

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide (CID 111320135) is 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide is C/N=C(\NCc1ccn[nH]1)NCC(C)(C)N1CCCCC1.I.
What is the InChIKey of 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide?
The InChIKey is OMPIYUQBNYPKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6.HI/c1-15(2,21-9-5-4-6-10-21)12-18-14(16-3)17-11-13-7-8-19-20-13;/h7-8H,4-6,9-12H2,1-3H3,(H,19,20)(H2,16,17,18);1H.
What are the key properties of 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide?
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide has a molecular weight of 420.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111320135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).