N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide

C15H23N3O — CID 110920840

IUPACN'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2ccccc2CO)CC1
InChIInChI=1S/C15H23N3O/c1-12-6-8-18(9-7-12)15(16)17-10-13-4-2-3-5-14(13)11-19/h2-5,12,19H,6-11H2,1H3,(H2,16,17)
InChIKeyNWUHRZNQRKVUJW-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.73
Rot. Bonds3

About N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide

N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110920840) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110920840
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2ccccc2CO)CC1
InChIInChI=1S/C15H23N3O/c1-12-6-8-18(9-7-12)15(16)17-10-13-4-2-3-5-14(13)11-19/h2-5,12,19H,6-11H2,1H3,(H2,16,17)
InChIKeyNWUHRZNQRKVUJW-UHFFFAOYSA-N
XLogP1.73
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.73
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'}

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Related Compounds

N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110919433
N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111077355
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
N'-[(2-hydroxy-3-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935470
4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide
CID 119146676
N'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368
4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110026747
N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110919760
N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920081
N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111047450
4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide
CID 111601356
N'-[(2-ethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111817688

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide (CID 110920840) is N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/Cc2ccccc2CO)CC1.
What is the InChIKey of N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is NWUHRZNQRKVUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-6-8-18(9-7-12)15(16)17-10-13-4-2-3-5-14(13)11-19/h2-5,12,19H,6-11H2,1H3,(H2,16,17).
What are the key properties of N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide?
N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 261.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110920840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).