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

C14H21N3O — CID 111077355

IUPACN'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
SMILESN/C(=N\Cc1ccccc1CO)N1CCCCC1
InChIInChI=1S/C14H21N3O/c15-14(17-8-4-1-5-9-17)16-10-12-6-2-3-7-13(12)11-18/h2-3,6-7,18H,1,4-5,8-11H2,(H2,15,16)
InChIKeyVOTMQJUSORFSGH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.48
Rot. Bonds3

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

N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide (PubChem CID 111077355) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
PubChem CID111077355
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
SMILESN/C(=N\Cc1ccccc1CO)N1CCCCC1
InChIInChI=1S/C14H21N3O/c15-14(17-8-4-1-5-9-17)16-10-12-6-2-3-7-13(12)11-18/h2-3,6-7,18H,1,4-5,8-11H2,(H2,15,16)
InChIKeyVOTMQJUSORFSGH-UHFFFAOYSA-N
XLogP1.48
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.48
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-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920840
N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111053986
N'-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 110028825
N'-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 110028826
N'-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111802643
N'-[(2-prop-2-enoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111810182
N'-[(2-cyclobutyloxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111816443
N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111821179
N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide
CID 111060631
N'-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111077066
N'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 162323761

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide (CID 111077355) is N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide is N/C(=N\Cc1ccccc1CO)N1CCCCC1.
What is the InChIKey of N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide?
The InChIKey is VOTMQJUSORFSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-14(17-8-4-1-5-9-17)16-10-12-6-2-3-7-13(12)11-18/h2-3,6-7,18H,1,4-5,8-11H2,(H2,15,16).
What are the key properties of N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide?
N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide has a molecular weight of 247.34 g/mol, XLogP of 1.48, 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]piperidine-1-carboximidamide is sourced from PubChem (CID 111077355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).