3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide

C12H18N4O — CID 62893702

IUPAC3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN1CCCC(O)C1
InChIInChI=1S/C12H18N4O/c13-12(14)11-9(3-1-5-15-11)7-16-6-2-4-10(17)8-16/h1,3,5,10,17H,2,4,6-8H2,(H3,13,14)
InChIKeyPXLCUPAFVDAJRC-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.32
Rot. Bonds3

About 3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide

3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide (PubChem CID 62893702) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide
PubChem CID62893702
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN1CCCC(O)C1
InChIInChI=1S/C12H18N4O/c13-12(14)11-9(3-1-5-15-11)7-16-6-2-4-10(17)8-16/h1,3,5,10,17H,2,4,6-8H2,(H3,13,14)
InChIKeyPXLCUPAFVDAJRC-UHFFFAOYSA-N
XLogP0.32
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.32
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'}

Analyze 3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 62943758
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carboximidamide
CID 79932125
3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63158312
4-[(3-hydroxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 61434714
3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbothioamide
CID 62893261
3-[(2-propylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 83055860
3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide
CID 62895733
3-(3-hydroxypiperidin-1-yl)pyrazine-2-carboximidamide
CID 62684215
3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55146885
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 62916132
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-2-carbothioamide
CID 81199502

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide (CID 62893702) is 3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN1CCCC(O)C1.
What is the InChIKey of 3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide?
The InChIKey is PXLCUPAFVDAJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-12(14)11-9(3-1-5-15-11)7-16-6-2-4-10(17)8-16/h1,3,5,10,17H,2,4,6-8H2,(H3,13,14).
What are the key properties of 3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide?
3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxypiperidin-1-yl)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62893702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).