1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide

C19H29IN6 — CID 110986937

IUPAC1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCn1ccnc1)NC1CCN(Cc2ccccc2)CC1.I
InChIInChI=1S/C19H28N6.HI/c1-20-19(22-10-14-25-13-9-21-16-25)23-18-7-11-24(12-8-18)15-17-5-3-2-4-6-17;/h2-6,9,13,16,18H,7-8,10-12,14-15H2,1H3,(H2,20,22,23);1H
InChIKeyFRBVWWOFBZCROM-UHFFFAOYSA-N
MW468.39 g/mol
LogP2.33
Rot. Bonds6

About 1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide

1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide (PubChem CID 110986937) has the molecular formula C19H29IN6 and a molecular weight of 468.39 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
PubChem CID110986937
Molecular FormulaC19H29IN6
Molecular Weight468.39 g/mol
Exact Mass468.15
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCn1ccnc1)NC1CCN(Cc2ccccc2)CC1.I
InChIInChI=1S/C19H28N6.HI/c1-20-19(22-10-14-25-13-9-21-16-25)23-18-7-11-24(12-8-18)15-17-5-3-2-4-6-17;/h2-6,9,13,16,18H,7-8,10-12,14-15H2,1H3,(H2,20,22,23);1H
InChIKeyFRBVWWOFBZCROM-UHFFFAOYSA-N
XLogP2.33
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 109457334
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[4-(1,2,4-triazol-4-yl)butyl]guanidine;hydroiodide
CID 111495487
1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 110991929
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1-benzylpiperidin-4-yl)-2-methylguanidine;hydroiodide
CID 110987447
1-(1-benzylpiperidin-4-yl)-3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110985439
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 110985847
1-(1-benzylpiperidin-4-yl)-3-[2-(2-chlorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110987549
1-(1-benzylpiperidin-4-yl)-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide
CID 110986393
1-(1-benzylpiperidin-4-yl)-2-methyl-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 110987009
1-(1-benzylpiperidin-4-yl)-3-(2-ethoxyethyl)-2-methylguanidine
CID 110987566
1-(1-benzylpiperidin-4-yl)-2-methyl-3-(2-phenylmethoxyethyl)guanidine
CID 111963989
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 110986921

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide (CID 110986937) is 1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide is C/N=C(\NCCn1ccnc1)NC1CCN(Cc2ccccc2)CC1.I.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide?
The InChIKey is FRBVWWOFBZCROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6.HI/c1-20-19(22-10-14-25-13-9-21-16-25)23-18-7-11-24(12-8-18)15-17-5-3-2-4-6-17;/h2-6,9,13,16,18H,7-8,10-12,14-15H2,1H3,(H2,20,22,23);1H.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide?
1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide has a molecular weight of 468.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110986937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).