3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide

C10H22N4O — CID 43592135

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCN(CCO)CC1
InChIInChI=1S/C10H22N4O/c1-9(10(11)12)8-14-4-2-13(3-5-14)6-7-15/h9,15H,2-8H2,1H3,(H3,11,12)
InChIKeyWBAKCKHOCZUUPQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.83
Rot. Bonds5

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide

3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide (PubChem CID 43592135) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide
PubChem CID43592135
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCN(CCO)CC1
InChIInChI=1S/C10H22N4O/c1-9(10(11)12)8-14-4-2-13(3-5-14)6-7-15/h9,15H,2-8H2,1H3,(H3,11,12)
InChIKeyWBAKCKHOCZUUPQ-UHFFFAOYSA-N
XLogP-0.83
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.83
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
2-[4-(1-Hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide
CID 91007701
3-[Methyl(2-morpholin-4-ylethyl)amino]propanimidamide
CID 28394929
3-[4-(2-Hydroxyethyl)piperazin-1-yl]propanimidamide
CID 28811977
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-[Ethyl(2-morpholin-4-ylethyl)amino]-2-methylpropanimidamide
CID 54988469
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]-2-methylpropanimidamide?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide (CID 43592135) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CCN(CCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide?
The InChIKey is WBAKCKHOCZUUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-9(10(11)12)8-14-4-2-13(3-5-14)6-7-15/h9,15H,2-8H2,1H3,(H3,11,12).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide?
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide has a molecular weight of 214.31 g/mol, XLogP of -0.83, 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]-2-methylpropanimidamide is sourced from PubChem (CID 43592135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).