2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide

C14H20ClN3O — CID 106836145

IUPAC2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N1CCC(C(C)O)CC1
InChIInChI=1S/C14H20ClN3O/c1-9(19)10-5-7-18(8-6-10)12-4-2-3-11(15)13(12)14(16)17/h2-4,9-10,19H,5-8H2,1H3,(H3,16,17)
InChIKeyRQJPJLJKMCHORC-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.22
Rot. Bonds3

About 2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide

2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide (PubChem CID 106836145) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
PubChem CID106836145
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N1CCC(C(C)O)CC1
InChIInChI=1S/C14H20ClN3O/c1-9(19)10-5-7-18(8-6-10)12-4-2-3-11(15)13(12)14(16)17/h2-4,9-10,19H,5-8H2,1H3,(H3,16,17)
InChIKeyRQJPJLJKMCHORC-UHFFFAOYSA-N
XLogP2.22
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.22
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]benzenecarbothioamide
CID 106835977
2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
CID 62502937
2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide
CID 63170372
2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 62502940
2-methylsulfanyl-6-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496268
5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide
CID 106836120
2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)benzenecarboximidamide
CID 62972678
4-chloro-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 112625770
2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)benzenecarboximidamide
CID 62502771
1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol
CID 106835281
2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552204
2-chloro-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzenecarboximidamide
CID 63762400

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
The IUPAC name of 2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide (CID 106836145) is 2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1N1CCC(C(C)O)CC1.
What is the InChIKey of 2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
The InChIKey is RQJPJLJKMCHORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-9(19)10-5-7-18(8-6-10)12-4-2-3-11(15)13(12)14(16)17/h2-4,9-10,19H,5-8H2,1H3,(H3,16,17).
What are the key properties of 2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide has a molecular weight of 281.79 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 106836145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).