3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide

C14H20ClN3O2 — CID 82696027

IUPAC3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(OCCO)CC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c15-12-9-10(14(16)17)1-2-13(12)18-5-3-11(4-6-18)20-8-7-19/h1-2,9,11,19H,3-8H2,(H3,16,17)
InChIKeyHISRSJACSOYTRI-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.60
Rot. Bonds5

About 3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide

3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide (PubChem CID 82696027) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
PubChem CID82696027
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(OCCO)CC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c15-12-9-10(14(16)17)1-2-13(12)18-5-3-11(4-6-18)20-8-7-19/h1-2,9,11,19H,3-8H2,(H3,16,17)
InChIKeyHISRSJACSOYTRI-UHFFFAOYSA-N
XLogP1.60
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.60
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-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide 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-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
CID 63087893
3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide
CID 63088065
3-chloro-4-(4-methylpiperidin-1-yl)benzenecarboximidamide
CID 63088218
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
CID 82696529
4-(azocan-1-yl)-3-chlorobenzenecarboximidamide
CID 63088884
3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 64598339
2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
CID 107536559
3-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 106669767
3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 63089228
3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678801
3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 43658309
3-chloro-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 102667756

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide?
The IUPAC name of 3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide (CID 82696027) is 3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCC(OCCO)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide?
The InChIKey is HISRSJACSOYTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c15-12-9-10(14(16)17)1-2-13(12)18-5-3-11(4-6-18)20-8-7-19/h1-2,9,11,19H,3-8H2,(H3,16,17).
What are the key properties of 3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide?
3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide has a molecular weight of 297.79 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 82696027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).