N'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide

C14H21N3O — CID 130557138

IUPACN'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide
SMILESCC1(O)CCN(/C(N)=N/Cc2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-14(18)7-9-17(10-8-14)13(15)16-11-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3,(H2,15,16)
InChIKeyJXOLWEIVHSERFY-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.35
Rot. Bonds2

About N'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide

N'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide (PubChem CID 130557138) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide
PubChem CID130557138
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide
SMILESCC1(O)CCN(/C(N)=N/Cc2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-14(18)7-9-17(10-8-14)13(15)16-11-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3,(H2,15,16)
InChIKeyJXOLWEIVHSERFY-UHFFFAOYSA-N
XLogP1.35
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.35
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'-benzyl-4-methoxypiperidine-1-carboximidamide
CID 130165898
N'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide
CID 131096339
N'-benzyl-3-propan-2-ylpyrrolidine-1-carboximidamide
CID 130557165
N'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide
CID 75467048
N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111023397
N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111047716
N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111051112
N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111047747
N'-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920083
N'-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 111466070

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide (CID 130557138) is N'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide is CC1(O)CCN(/C(N)=N/Cc2ccccc2)CC1.
What is the InChIKey of N'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide?
The InChIKey is JXOLWEIVHSERFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(18)7-9-17(10-8-14)13(15)16-11-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3,(H2,15,16).
What are the key properties of N'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide?
N'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide has a molecular weight of 247.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-4-hydroxy-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 130557138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).