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

C16H32N4O — CID 111032592

IUPAC3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide
SMILESCC(C)CN1CCOC(C/N=C(\N)N2CCCC(C)C2)C1
InChIInChI=1S/C16H32N4O/c1-13(2)10-19-7-8-21-15(12-19)9-18-16(17)20-6-4-5-14(3)11-20/h13-15H,4-12H2,1-3H3,(H2,17,18)
InChIKeyNJFSZHPMQCBQOR-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.39
Rot. Bonds4

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

3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide (PubChem CID 111032592) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide
PubChem CID111032592
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide
SMILESCC(C)CN1CCOC(C/N=C(\N)N2CCCC(C)C2)C1
InChIInChI=1S/C16H32N4O/c1-13(2)10-19-7-8-21-15(12-19)9-18-16(17)20-6-4-5-14(3)11-20/h13-15H,4-12H2,1-3H3,(H2,17,18)
InChIKeyNJFSZHPMQCBQOR-UHFFFAOYSA-N
XLogP1.39
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.39
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-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide
CID 111091304
1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111032554
(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'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide
CID 95571142
1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 110958751
(3S)-N'-[[(2R)-1,1-dioxothian-2-yl]methyl]-3-methylpiperidine-1-carboximidamide
CID 99853971
N'-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]azepane-1-carboximidamide;hydroiodide
CID 75495275
N'-[(2-tert-butyloxan-3-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816125
3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide
CID 111041135
1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 110958750
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111032608
3-ethyl-1,1-dimethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369255

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide (CID 111032592) is 3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide is CC(C)CN1CCOC(C/N=C(\N)N2CCCC(C)C2)C1.
What is the InChIKey of 3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide?
The InChIKey is NJFSZHPMQCBQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-13(2)10-19-7-8-21-15(12-19)9-18-16(17)20-6-4-5-14(3)11-20/h13-15H,4-12H2,1-3H3,(H2,17,18).
What are the key properties of 3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide?
3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide has a molecular weight of 296.46 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111032592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).