1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide

C14H23IN4 — CID 84583445

IUPAC1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\N)NC1CCCN(Cc2ccccc2)C1.I
InChIInChI=1S/C14H22N4.HI/c1-16-14(15)17-13-8-5-9-18(11-13)10-12-6-3-2-4-7-12;/h2-4,6-7,13H,5,8-11H2,1H3,(H3,15,16,17);1H
InChIKeySTQLWSOJADXWTM-UHFFFAOYSA-N
MW374.27 g/mol
LogP1.80
Rot. Bonds3

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

1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide (PubChem CID 84583445) has the molecular formula C14H23IN4 and a molecular weight of 374.27 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide
PubChem CID84583445
Molecular FormulaC14H23IN4
Molecular Weight374.27 g/mol
Exact Mass374.10
IUPAC Name1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\N)NC1CCCN(Cc2ccccc2)C1.I
InChIInChI=1S/C14H22N4.HI/c1-16-14(15)17-13-8-5-9-18(11-13)10-12-6-3-2-4-7-12;/h2-4,6-7,13H,5,8-11H2,1H3,(H3,15,16,17);1H
InChIKeySTQLWSOJADXWTM-UHFFFAOYSA-N
XLogP1.80
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 51.80
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

1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine
CID 116510957
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine
CID 119146341
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119855968
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
(3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95136177
1-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2-methylguanidine;hydroiodide
CID 75495074
1-[1-(2-hydroxyethyl)piperidin-3-yl]-2-methylguanidine
CID 130877853
2-[3-[[[N-(1-benzylpiperidin-3-yl)-N'-methylcarbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111992838

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide (CID 84583445) is 1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide is C/N=C(\N)NC1CCCN(Cc2ccccc2)C1.I.
What is the InChIKey of 1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide?
The InChIKey is STQLWSOJADXWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4.HI/c1-16-14(15)17-13-8-5-9-18(11-13)10-12-6-3-2-4-7-12;/h2-4,6-7,13H,5,8-11H2,1H3,(H3,15,16,17);1H.
What are the key properties of 1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide?
1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide has a molecular weight of 374.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 84583445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).