3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride

C9H21ClN4O — CID 82021481

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCN1CCN(CCO)CC1
InChIInChI=1S/C9H20N4O.ClH/c10-9(11)1-2-12-3-5-13(6-4-12)7-8-14;/h14H,1-8H2,(H3,10,11);1H
InChIKeyVZTRGCKUXQJGSY-UHFFFAOYSA-N
MW236.75 g/mol
LogP-0.66
Rot. Bonds5

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride

3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride (PubChem CID 82021481) has the molecular formula C9H21ClN4O and a molecular weight of 236.75 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride
PubChem CID82021481
Molecular FormulaC9H21ClN4O
Molecular Weight236.75 g/mol
Exact Mass236.14
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCN1CCN(CCO)CC1
InChIInChI=1S/C9H20N4O.ClH/c10-9(11)1-2-12-3-5-13(6-4-12)7-8-14;/h14H,1-8H2,(H3,10,11);1H
InChIKeyVZTRGCKUXQJGSY-UHFFFAOYSA-N
XLogP-0.66
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 5-0.66
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

3,3,3-Trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide
CID 103370591
2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanimidamide
CID 43592129
3-[4-(3-Amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide
CID 68749710
3-[Methyl(2-morpholin-4-ylethyl)amino]propanimidamide
CID 28394929
3-[4-(2-Hydroxyethyl)piperazin-1-yl]propanimidamide
CID 28811977
N'-hydroxy-4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
CID 43592113
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
CID 43592115
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide
CID 43592117
4-[4-(2-Hydroxyethyl)piperazin-1-yl]butanimidamide
CID 43592132
3-[4-(2-Hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 43592134
3-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide
CID 43592135
3-[4-(2-Hydroxyethyl)piperazin-1-yl]butanimidamide
CID 60914347

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride (CID 82021481) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride is Cl.[H]/N=C(\N)CCN1CCN(CCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride?
The InChIKey is VZTRGCKUXQJGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O.ClH/c10-9(11)1-2-12-3-5-13(6-4-12)7-8-14;/h14H,1-8H2,(H3,10,11);1H.
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride?
3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride has a molecular weight of 236.75 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride is sourced from PubChem (CID 82021481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).