2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide

C12H16ClN3O — CID 62502937

IUPAC2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N1CCC(O)CC1
InChIInChI=1S/C12H16ClN3O/c13-9-2-1-3-10(11(9)12(14)15)16-6-4-8(17)5-7-16/h1-3,8,17H,4-7H2,(H3,14,15)
InChIKeyDOUZZBFOOBQHGE-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.59
Rot. Bonds2

About 2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide

2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide (PubChem CID 62502937) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
PubChem CID62502937
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N1CCC(O)CC1
InChIInChI=1S/C12H16ClN3O/c13-9-2-1-3-10(11(9)12(14)15)16-6-4-8(17)5-7-16/h1-3,8,17H,4-7H2,(H3,14,15)
InChIKeyDOUZZBFOOBQHGE-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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Related Compounds

2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 106836145
2-chloro-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzenecarboximidamide
CID 63762400
2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide
CID 63170372
3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
CID 63087893
2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 62502940
2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)benzenecarboximidamide
CID 62502771
2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)benzenecarboximidamide
CID 62972678
2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide
CID 79015592
2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 107392884
2-chloro-6-imidazol-1-ylbenzenecarboximidamide
CID 62495659
2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 79515780
2-methylsulfanyl-6-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496268

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide (CID 62502937) is 2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1N1CCC(O)CC1.
What is the InChIKey of 2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide?
The InChIKey is DOUZZBFOOBQHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-9-2-1-3-10(11(9)12(14)15)16-6-4-8(17)5-7-16/h1-3,8,17H,4-7H2,(H3,14,15).
What are the key properties of 2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide?
2-chloro-6-(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 2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 62502937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).