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

C15H30N4O — CID 111060059

IUPACN'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide
SMILESCC1CCCCN1CCCC/N=C(\N)N1CCOCC1
InChIInChI=1S/C15H30N4O/c1-14-6-2-4-8-18(14)9-5-3-7-17-15(16)19-10-12-20-13-11-19/h14H,2-13H2,1H3,(H2,16,17)
InChIKeyHPSJGZSIFMUDGP-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.29
Rot. Bonds5

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

N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide (PubChem CID 111060059) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide
PubChem CID111060059
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC NameN'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide
SMILESCC1CCCCN1CCCC/N=C(\N)N1CCOCC1
InChIInChI=1S/C15H30N4O/c1-14-6-2-4-8-18(14)9-5-3-7-17-15(16)19-10-12-20-13-11-19/h14H,2-13H2,1H3,(H2,16,17)
InChIKeyHPSJGZSIFMUDGP-UHFFFAOYSA-N
XLogP1.29
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111060130
4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920148
N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
CID 111059740
1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060073
1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060069
1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060057
1-ethyl-2-[4-(2-methylpiperidin-1-yl)butyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187646
N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111060330
N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide
CID 111816668
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide
CID 111056830
cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate
CID 111810896

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide (CID 111060059) is N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide is CC1CCCCN1CCCC/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide?
The InChIKey is HPSJGZSIFMUDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-14-6-2-4-8-18(14)9-5-3-7-17-15(16)19-10-12-20-13-11-19/h14H,2-13H2,1H3,(H2,16,17).
What are the key properties of N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide?
N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide has a molecular weight of 282.43 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111060059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).