1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide

C17H28IN5 — CID 119153797

IUPAC1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
SMILESC/N=C(\NC1CCC1)NC1CCN(Cc2ccccn2)CC1.I
InChIInChI=1S/C17H27N5.HI/c1-18-17(20-14-6-4-7-14)21-15-8-11-22(12-9-15)13-16-5-2-3-10-19-16;/h2-3,5,10,14-15H,4,6-9,11-13H2,1H3,(H2,18,20,21);1H
InChIKeyYBIYFIXZZRPGEH-UHFFFAOYSA-N
MW429.35 g/mol
LogP2.38
Rot. Bonds4

About 1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide

1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide (PubChem CID 119153797) has the molecular formula C17H28IN5 and a molecular weight of 429.35 g/mol. Its IUPAC name is 1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
PubChem CID119153797
Molecular FormulaC17H28IN5
Molecular Weight429.35 g/mol
Exact Mass429.14
IUPAC Name1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
SMILESC/N=C(\NC1CCC1)NC1CCN(Cc2ccccn2)CC1.I
InChIInChI=1S/C17H27N5.HI/c1-18-17(20-14-6-4-7-14)21-15-8-11-22(12-9-15)13-16-5-2-3-10-19-16;/h2-3,5,10,14-15H,4,6-9,11-13H2,1H3,(H2,18,20,21);1H
InChIKeyYBIYFIXZZRPGEH-UHFFFAOYSA-N
XLogP2.38
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 52.38
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(furan-2-yl)ethyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 110054443
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119140089
2-methyl-1-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
CID 109394023
2-methyl-1-[2-[4-(2-methylpropoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 111992000
1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
CID 111991365
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine
CID 119146341
1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 110957791
2-methyl-1-(pyridin-2-ylmethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110968547
N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide
CID 111990343

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide?
The IUPAC name of 1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide (CID 119153797) is 1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide is C/N=C(\NC1CCC1)NC1CCN(Cc2ccccn2)CC1.I.
What is the InChIKey of 1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide?
The InChIKey is YBIYFIXZZRPGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5.HI/c1-18-17(20-14-6-4-7-14)21-15-8-11-22(12-9-15)13-16-5-2-3-10-19-16;/h2-3,5,10,14-15H,4,6-9,11-13H2,1H3,(H2,18,20,21);1H.
What are the key properties of 1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide?
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide has a molecular weight of 429.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide is sourced from PubChem (CID 119153797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).