3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide

C12H16ClN3O — CID 63087893

IUPAC3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(O)CC2)c(Cl)c1
InChIInChI=1S/C12H16ClN3O/c13-10-7-8(12(14)15)1-2-11(10)16-5-3-9(17)4-6-16/h1-2,7,9,17H,3-6H2,(H3,14,15)
InChIKeyJDOJSKCRLMAYBO-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.59
Rot. Bonds2

About 3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide

3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide (PubChem CID 63087893) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
PubChem CID63087893
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(O)CC2)c(Cl)c1
InChIInChI=1S/C12H16ClN3O/c13-10-7-8(12(14)15)1-2-11(10)16-5-3-9(17)4-6-16/h1-2,7,9,17H,3-6H2,(H3,14,15)
InChIKeyJDOJSKCRLMAYBO-UHFFFAOYSA-N
XLogP1.59
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide (CID 63087893) is 3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCC(O)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide?
The InChIKey is JDOJSKCRLMAYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-10-7-8(12(14)15)1-2-11(10)16-5-3-9(17)4-6-16/h1-2,7,9,17H,3-6H2,(H3,14,15).
What are the key properties of 3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide?
3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide has a molecular weight of 253.73 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 63087893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).