N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide

C14H22N4O2 — CID 76956160

IUPACN'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide
SMILESN/C(=N\OC[C@H](O)CN1CCCCC1)c1cccnc1
InChIInChI=1S/C14H22N4O2/c15-14(12-5-4-6-16-9-12)17-20-11-13(19)10-18-7-2-1-3-8-18/h4-6,9,13,19H,1-3,7-8,10-11H2,(H2,15,17)/t13-/m1/s1
InChIKeyMVLOQULXIYSERZ-CYBMUJFWSA-N
MW278.36 g/mol
LogP0.57
Rot. Bonds6

About N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide

N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide (PubChem CID 76956160) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide
PubChem CID76956160
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide
SMILESN/C(=N\OC[C@H](O)CN1CCCCC1)c1cccnc1
InChIInChI=1S/C14H22N4O2/c15-14(12-5-4-6-16-9-12)17-20-11-13(19)10-18-7-2-1-3-8-18/h4-6,9,13,19H,1-3,7-8,10-11H2,(H2,15,17)/t13-/m1/s1
InChIKeyMVLOQULXIYSERZ-CYBMUJFWSA-N
XLogP0.57
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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'-(2-chloro-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide
CID 57148724
[1-[(Z)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] acetate
CID 139785157
[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
but-2-enedioic acid;(3Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride
CID 87925320
1-hydroxy-N'-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridin-1-ium-3-carboximidamide
CID 164938287
[1-[(Z)-[chloro(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] benzoate
CID 87475056
N'-methoxypyridine-3-carboximidamide
CID 82467799
1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol
CID 110183081
1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride
CID 173436955
N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride;dihydrochloride
CID 87879749
3-[3-(azepan-1-yl)-2-hydroxypropoxy]benzenecarbothioamide
CID 43290259

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide?
The IUPAC name of N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide (CID 76956160) is N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide.
What is the SMILES notation for N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide?
The canonical SMILES for N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide is N/C(=N\OC[C@H](O)CN1CCCCC1)c1cccnc1.
What is the InChIKey of N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide?
The InChIKey is MVLOQULXIYSERZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-14(12-5-4-6-16-9-12)17-20-11-13(19)10-18-7-2-1-3-8-18/h4-6,9,13,19H,1-3,7-8,10-11H2,(H2,15,17)/t13-/m1/s1.
What are the key properties of N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide?
N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide has a molecular weight of 278.36 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]pyridine-3-carboximidamide is sourced from PubChem (CID 76956160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).