3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide

C13H26N4O — CID 111091304

IUPAC3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC2CN(C)CCO2)C1
InChIInChI=1S/C13H26N4O/c1-11-4-3-5-17(9-11)13(14)15-8-12-10-16(2)6-7-18-12/h11-12H,3-10H2,1-2H3,(H2,14,15)
InChIKeyKOMWQNWTJMIBFX-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.36
Rot. Bonds2

About 3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide

3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide (PubChem CID 111091304) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide
PubChem CID111091304
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC2CN(C)CCO2)C1
InChIInChI=1S/C13H26N4O/c1-11-4-3-5-17(9-11)13(14)15-8-12-10-16(2)6-7-18-12/h11-12H,3-10H2,1-2H3,(H2,14,15)
InChIKeyKOMWQNWTJMIBFX-UHFFFAOYSA-N
XLogP0.36
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.36
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

3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide
CID 111032592
(3R)-N'-[[(3S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-3-methylpiperidine-1-carboximidamide
CID 97101612
N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide
CID 78932018
3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide
CID 111076809
2-[(4-methylmorpholin-2-yl)methyl]-1-propan-2-ylguanidine
CID 78931999
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
N'-[(2-tert-butyloxan-3-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816125
2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661395
N'-[(1-cyclopropylpiperidin-4-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 120581654
N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 122125675
3-methyl-N'-[[2-(4-methylphenyl)oxan-3-yl]methyl]piperidine-1-carboximidamide
CID 111815556
3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide
CID 111818472

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide (CID 111091304) is 3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CC2CN(C)CCO2)C1.
What is the InChIKey of 3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is KOMWQNWTJMIBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-11-4-3-5-17(9-11)13(14)15-8-12-10-16(2)6-7-18-12/h11-12H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of 3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide?
3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 254.38 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111091304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).