5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide

C13H20N4O — CID 106836148

IUPAC5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(C(C)O)CC2)cn1
InChIInChI=1S/C13H20N4O/c1-9(18)10-4-6-17(7-5-10)11-2-3-12(13(14)15)16-8-11/h2-3,8-10,18H,4-7H2,1H3,(H3,14,15)
InChIKeyZXXJEDHRYJAXGX-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.96
Rot. Bonds3

About 5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide

5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide (PubChem CID 106836148) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
PubChem CID106836148
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(C(C)O)CC2)cn1
InChIInChI=1S/C13H20N4O/c1-9(18)10-4-6-17(7-5-10)11-2-3-12(13(14)15)16-8-11/h2-3,8-10,18H,4-7H2,1H3,(H3,14,15)
InChIKeyZXXJEDHRYJAXGX-UHFFFAOYSA-N
XLogP0.96
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
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

5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 113321263
5-morpholin-4-ylpyridine-2-carboximidamide
CID 115489462
ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol
CID 156652004
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 104638980
5-(8-azaspiro[4.5]decan-8-yl)pyridine-2-carboximidamide
CID 115489654
5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 115489708
5-(2-ethylmorpholin-4-yl)pyridine-2-carboximidamide
CID 115489519
1-[1-[6-(1-aminopropyl)-3-pyridinyl]piperidin-4-yl]ethanol
CID 106836278
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboximidamide
CID 115489641
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626037
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 115489529

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide?
The IUPAC name of 5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide (CID 106836148) is 5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide.
What is the SMILES notation for 5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide?
The canonical SMILES for 5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(N2CCC(C(C)O)CC2)cn1.
What is the InChIKey of 5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide?
The InChIKey is ZXXJEDHRYJAXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(18)10-4-6-17(7-5-10)11-2-3-12(13(14)15)16-8-11/h2-3,8-10,18H,4-7H2,1H3,(H3,14,15).
What are the key properties of 5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide?
5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide is sourced from PubChem (CID 106836148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).