3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide

C18H28N4O — CID 111063224

IUPAC3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C18H28N4O/c1-15-5-4-8-22(14-15)18(19)20-13-16-6-2-3-7-17(16)21-9-11-23-12-10-21/h2-3,6-7,15H,4-5,8-14H2,1H3,(H2,19,20)
InChIKeyDQQNKXVWYFDSKT-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.07
Rot. Bonds3

About 3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide

3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide (PubChem CID 111063224) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
PubChem CID111063224
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C18H28N4O/c1-15-5-4-8-22(14-15)18(19)20-13-16-6-2-3-7-17(16)21-9-11-23-12-10-21/h2-3,6-7,15H,4-5,8-14H2,1H3,(H2,19,20)
InChIKeyDQQNKXVWYFDSKT-UHFFFAOYSA-N
XLogP2.07
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111047450
N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111144464
3-methyl-N'-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111069748
3-methyl-N'-[[2-(methylsulfonylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 86778441
N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111044308
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053491
N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111036311
3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111038144
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816739
N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045848
N'-[(2-hydroxy-3-methoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111099970
3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111060872

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide (CID 111063224) is 3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/Cc2ccccc2N2CCOCC2)C1.
What is the InChIKey of 3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide?
The InChIKey is DQQNKXVWYFDSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-15-5-4-8-22(14-15)18(19)20-13-16-6-2-3-7-17(16)21-9-11-23-12-10-21/h2-3,6-7,15H,4-5,8-14H2,1H3,(H2,19,20).
What are the key properties of 3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide?
3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide has a molecular weight of 316.45 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111063224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).