N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide

C14H21ClN4O — CID 57148724

IUPACN'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide
SMILESNC(=NOCC(Cl)CN1CCCCC1)c1cccnc1
InChIInChI=1S/C14H21ClN4O/c15-13(10-19-7-2-1-3-8-19)11-20-18-14(16)12-5-4-6-17-9-12/h4-6,9,13H,1-3,7-8,10-11H2,(H2,16,18)
InChIKeyDAJGLGGPDASOIT-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.81
Rot. Bonds6

About N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide

N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide (PubChem CID 57148724) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide
PubChem CID57148724
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC NameN'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide
SMILESNC(=NOCC(Cl)CN1CCCCC1)c1cccnc1
InChIInChI=1S/C14H21ClN4O/c15-13(10-19-7-2-1-3-8-19)11-20-18-14(16)12-5-4-6-17-9-12/h4-6,9,13H,1-3,7-8,10-11H2,(H2,16,18)
InChIKeyDAJGLGGPDASOIT-UHFFFAOYSA-N
XLogP1.81
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide
CID 76956160
[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate
CID 139785157
N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride
CID 87475486
[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] furan-2-carboxylate
CID 87474140
N'-(3-cyclohexyl-2-hydroxypropoxy)pyridine-3-carboximidamide
CID 76582869
[1-[(Z)-[chloro(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] benzoate
CID 87475056
but-2-enedioic acid;(3Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride
CID 87925320
N'-methoxypyridine-3-carboximidamide
CID 82467799
1-hydroxy-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridin-1-ium-3-carboximidamide
CID 164938287
N-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride
CID 73462266
methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate
CID 117241306
cyclohexylidene(pyridin-3-yl)methanamine
CID 151094378

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide (CID 57148724) is N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide is NC(=NOCC(Cl)CN1CCCCC1)c1cccnc1.
What is the InChIKey of N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide?
The InChIKey is DAJGLGGPDASOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c15-13(10-19-7-2-1-3-8-19)11-20-18-14(16)12-5-4-6-17-9-12/h4-6,9,13H,1-3,7-8,10-11H2,(H2,16,18).
What are the key properties of N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide?
N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide has a molecular weight of 296.80 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 57148724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).