2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide

C13H20N4O — CID 43592118

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N1CCN(CCO)CC1
InChIInChI=1S/C13H20N4O/c14-13(15)11-3-1-2-4-12(11)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-10H2,(H3,14,15)
InChIKeyLCPBSFJBQFBDHR-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.08
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide

2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide (PubChem CID 43592118) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
PubChem CID43592118
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N1CCN(CCO)CC1
InChIInChI=1S/C13H20N4O/c14-13(15)11-3-1-2-4-12(11)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-10H2,(H3,14,15)
InChIKeyLCPBSFJBQFBDHR-UHFFFAOYSA-N
XLogP0.08
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.08
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'}

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Related Compounds

5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
CID 55232505
5-bromo-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
CID 114892880
2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid
CID 25360108
2-(azocan-1-yl)benzenecarboximidamide
CID 28801457
2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253606
2-fluoro-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenecarboximidamide
CID 107223288
3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253607
4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenecarboximidamide
CID 107223259
2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol
CID 55189416
1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]propan-1-one
CID 107223361
2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
CID 117028316
3-chloro-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-4-carboximidamide
CID 107223271

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide (CID 43592118) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide?
The InChIKey is LCPBSFJBQFBDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-13(15)11-3-1-2-4-12(11)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-10H2,(H3,14,15).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide?
2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide has a molecular weight of 248.33 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 43592118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).