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

C10H22N4O — CID 43592132

IUPAC4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CCCN1CCN(CCO)CC1
InChIInChI=1S/C10H22N4O/c11-10(12)2-1-3-13-4-6-14(7-5-13)8-9-15/h15H,1-9H2,(H3,11,12)
InChIKeyKQJVUPWMYDOTLZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.69
Rot. Bonds6

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

4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide (PubChem CID 43592132) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
PubChem CID43592132
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CCCN1CCN(CCO)CC1
InChIInChI=1S/C10H22N4O/c11-10(12)2-1-3-13-4-6-14(7-5-13)8-9-15/h15H,1-9H2,(H3,11,12)
InChIKeyKQJVUPWMYDOTLZ-UHFFFAOYSA-N
XLogP-0.69
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.69
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-[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
3-[4-(2-Hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 43592134
3-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide
CID 43592135
N'-hydroxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 54966179
3-[4-(2-Hydroxyethyl)piperazin-1-yl]butanimidamide
CID 60914347
4-[Ethyl(2-hydroxyethyl)amino]butanimidamide
CID 60980632

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide (CID 43592132) is 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide is [H]/N=C(\N)CCCN1CCN(CCO)CC1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide?
The InChIKey is KQJVUPWMYDOTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c11-10(12)2-1-3-13-4-6-14(7-5-13)8-9-15/h15H,1-9H2,(H3,11,12).
What are the key properties of 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide?
4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide has a molecular weight of 214.31 g/mol, XLogP of -0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide is sourced from PubChem (CID 43592132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).