N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide

C13H26N4O — CID 111056830

IUPACN'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide
SMILESCC1CCCN(CC/N=C(\N)N2CCOCC2)C1
InChIInChI=1S/C13H26N4O/c1-12-3-2-5-16(11-12)6-4-15-13(14)17-7-9-18-10-8-17/h12H,2-11H2,1H3,(H2,14,15)
InChIKeyBKGXTILOVSMTPQ-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.37
Rot. Bonds3

About N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide

N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide (PubChem CID 111056830) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide
PubChem CID111056830
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide
SMILESCC1CCCN(CC/N=C(\N)N2CCOCC2)C1
InChIInChI=1S/C13H26N4O/c1-12-3-2-5-16(11-12)6-4-15-13(14)17-7-9-18-10-8-17/h12H,2-11H2,1H3,(H2,14,15)
InChIKeyBKGXTILOVSMTPQ-UHFFFAOYSA-N
XLogP0.37
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.37
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

4-methyl-N'-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920150
3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111060279
1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111056854
2-[3-(3-methylpiperidin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056935
N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111047450
4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide
CID 111056970
1-ethyl-3-[2-(3-methylpiperidin-1-yl)ethyl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188128
3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide
CID 111041135
N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
CID 111059740
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661211
3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide
CID 111818472

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide (CID 111056830) is N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide is CC1CCCN(CC/N=C(\N)N2CCOCC2)C1.
What is the InChIKey of N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide?
The InChIKey is BKGXTILOVSMTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-12-3-2-5-16(11-12)6-4-15-13(14)17-7-9-18-10-8-17/h12H,2-11H2,1H3,(H2,14,15).
What are the key properties of N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide?
N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide has a molecular weight of 254.38 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111056830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).