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

C11H24N4O — CID 43592134

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCN(CCO)CC1
InChIInChI=1S/C11H24N4O/c1-2-10(9-11(12)13)15-5-3-14(4-6-15)7-8-16/h10,16H,2-9H2,1H3,(H3,12,13)
InChIKeyOQPCDNHCDJDNAW-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.30
Rot. Bonds6

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

3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide (PubChem CID 43592134) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
PubChem CID43592134
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCN(CCO)CC1
InChIInChI=1S/C11H24N4O/c1-2-10(9-11(12)13)15-5-3-14(4-6-15)7-8-16/h10,16H,2-9H2,1H3,(H3,12,13)
InChIKeyOQPCDNHCDJDNAW-UHFFFAOYSA-N
XLogP-0.30
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.30
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-[4-(2-Hydroxyethyl)piperazin-1-yl]propanimidamide
CID 28811977
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 43592116
4-[4-(2-Hydroxyethyl)piperazin-1-yl]butanimidamide
CID 43592132
3-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide
CID 43592135
N'-hydroxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 54966179
3-[Cyclohexyl(2-hydroxyethyl)amino]pentanimidamide
CID 54994326
3-[4-(2-Hydroxyethyl)piperazin-1-yl]butanimidamide
CID 60914347
3-[2-Hydroxyethyl(methyl)amino]pentanimidamide
CID 60961694
3-[Ethyl(2-hydroxyethyl)amino]pentanimidamide
CID 60980767
3-[Ethyl(2-hydroxyethyl)amino]butanimidamide
CID 60980768
3-[Bis(2-hydroxyethyl)amino]pentanimidamide
CID 61233575
2-[2-(Hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 61406866

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide (CID 43592134) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide is [H]/N=C(\N)CC(CC)N1CCN(CCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide?
The InChIKey is OQPCDNHCDJDNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-2-10(9-11(12)13)15-5-3-14(4-6-15)7-8-16/h10,16H,2-9H2,1H3,(H3,12,13).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide?
3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide has a molecular weight of 228.34 g/mol, XLogP of -0.30, 6 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]pentanimidamide is sourced from PubChem (CID 43592134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).