N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C13H26IN3O — CID 111088654

IUPACN'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC2(O)CCCC2)C1.I
InChIInChI=1S/C13H25N3O.HI/c1-11-5-4-8-16(9-11)12(14)15-10-13(17)6-2-3-7-13;/h11,17H,2-10H2,1H3,(H2,14,15);1H
InChIKeyFSTUONATQIRDQX-UHFFFAOYSA-N
MW367.28 g/mol
LogP1.96
Rot. Bonds2

About N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111088654) has the molecular formula C13H26IN3O and a molecular weight of 367.28 g/mol. Its IUPAC name is N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111088654
Molecular FormulaC13H26IN3O
Molecular Weight367.28 g/mol
Exact Mass367.11
IUPAC NameN'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC2(O)CCCC2)C1.I
InChIInChI=1S/C13H25N3O.HI/c1-11-5-4-8-16(9-11)12(14)15-10-13(17)6-2-3-7-13;/h11,17H,2-10H2,1H3,(H2,14,15);1H
InChIKeyFSTUONATQIRDQX-UHFFFAOYSA-N
XLogP1.96
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 51.96
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

3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111970356
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144259
N'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 119147169
3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038838
N'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 120662356
N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide
CID 111076526
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111091582
(3R)-N'-hydroxy-3-methylpiperidine-1-carboximidamide
CID 166099569
N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111816568
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide
CID 111076809

Frequently Asked Questions

What is the IUPAC name of N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111088654) is N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/CC2(O)CCCC2)C1.I.
What is the InChIKey of N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is FSTUONATQIRDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.HI/c1-11-5-4-8-16(9-11)12(14)15-10-13(17)6-2-3-7-13;/h11,17H,2-10H2,1H3,(H2,14,15);1H.
What are the key properties of N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 367.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111088654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).