1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide

C20H33IN4O — CID 119152194

IUPAC1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide
SMILESCOC1CC(/N=C(\N)NC2CCN(Cc3ccccc3)CC2)C1(C)C.I
InChIInChI=1S/C20H32N4O.HI/c1-20(2)17(13-18(20)25-3)23-19(21)22-16-9-11-24(12-10-16)14-15-7-5-4-6-8-15;/h4-8,16-18H,9-14H2,1-3H3,(H3,21,22,23);1H
InChIKeyQDCFEHLJQPUQFR-UHFFFAOYSA-N
MW472.42 g/mol
LogP2.99
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide

1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide (PubChem CID 119152194) has the molecular formula C20H33IN4O and a molecular weight of 472.42 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide
PubChem CID119152194
Molecular FormulaC20H33IN4O
Molecular Weight472.42 g/mol
Exact Mass472.17
IUPAC Name1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide
SMILESCOC1CC(/N=C(\N)NC2CCN(Cc3ccccc3)CC2)C1(C)C.I
InChIInChI=1S/C20H32N4O.HI/c1-20(2)17(13-18(20)25-3)23-19(21)22-16-9-11-24(12-10-16)14-15-7-5-4-6-8-15;/h4-8,16-18H,9-14H2,1-3H3,(H3,21,22,23);1H
InChIKeyQDCFEHLJQPUQFR-UHFFFAOYSA-N
XLogP2.99
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 52.99
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-(1-benzylpiperidin-4-yl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 119118310
1-(1-benzylpiperidin-4-yl)-2-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]guanidine
CID 120671276
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-(1-benzylpiperidin-4-yl)-2-(pyridin-2-ylmethyl)guanidine
CID 119117109
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 2712549
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide (CID 119152194) is 1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide is COC1CC(/N=C(\N)NC2CCN(Cc3ccccc3)CC2)C1(C)C.I.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide?
The InChIKey is QDCFEHLJQPUQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O.HI/c1-20(2)17(13-18(20)25-3)23-19(21)22-16-9-11-24(12-10-16)14-15-7-5-4-6-8-15;/h4-8,16-18H,9-14H2,1-3H3,(H3,21,22,23);1H.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide?
1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide has a molecular weight of 472.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide is sourced from PubChem (CID 119152194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).