4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide

C13H26N4O — CID 107912519

IUPAC4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(CCC2CCCCN2C)CCO1
InChIInChI=1S/C13H26N4O/c1-16-6-3-2-4-11(16)5-7-17-8-9-18-12(10-17)13(14)15/h11-12H,2-10H2,1H3,(H3,14,15)
InChIKeySJQJAXAUEBPVEW-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.50
Rot. Bonds4

About 4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide

4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide (PubChem CID 107912519) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide
PubChem CID107912519
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(CCC2CCCCN2C)CCO1
InChIInChI=1S/C13H26N4O/c1-16-6-3-2-4-11(16)5-7-17-8-9-18-12(10-17)13(14)15/h11-12H,2-10H2,1H3,(H3,14,15)
InChIKeySJQJAXAUEBPVEW-UHFFFAOYSA-N
XLogP0.50
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-butylmorpholine-2-carboximidamide
CID 79680820
4-methylmorpholine-2-carboximidamide
CID 75481075
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-ol
CID 62917003
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-ol
CID 60689916
4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide
CID 102898334
4-(2-cyclopropylethyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79680425
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 114015284
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
4-(piperidine-1-carbonyl)morpholine-2-carboximidamide
CID 79676441
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide
CID 79171844
8-[2-(1-methylpiperidin-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 103748161
ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate
CID 81338983

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide?
The IUPAC name of 4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide (CID 107912519) is 4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide.
What is the SMILES notation for 4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide?
The canonical SMILES for 4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(CCC2CCCCN2C)CCO1.
What is the InChIKey of 4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide?
The InChIKey is SJQJAXAUEBPVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-16-6-3-2-4-11(16)5-7-17-8-9-18-12(10-17)13(14)15/h11-12H,2-10H2,1H3,(H3,14,15).
What are the key properties of 4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide?
4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide has a molecular weight of 254.38 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide is sourced from PubChem (CID 107912519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).