2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide

C10H22N4O — CID 91007701

IUPAC2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(C(C)(C)CO)CC1
InChIInChI=1S/C10H22N4O/c1-10(2,8-15)14-5-3-13(4-6-14)7-9(11)12/h15H,3-8H2,1-2H3,(H3,11,12)
InChIKeyFRPVSNLYXYMKAN-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.69
Rot. Bonds4

About 2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide

2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide (PubChem CID 91007701) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide
PubChem CID91007701
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(C(C)(C)CO)CC1
InChIInChI=1S/C10H22N4O/c1-10(2,8-15)14-5-3-13(4-6-14)7-9(11)12/h15H,3-8H2,1-2H3,(H3,11,12)
InChIKeyFRPVSNLYXYMKAN-UHFFFAOYSA-N
XLogP-0.69
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanimidamide
CID 43592129
2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]-N'-methylethanimidamide
CID 144098454
3-[4-(2-Hydroxyethyl)piperazin-1-yl]propanimidamide
CID 28811977
4-[4-(2-Hydroxyethyl)piperazin-1-yl]butanimidamide
CID 43592132
3-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide
CID 43592135
3-[4-(2-Hydroxyethyl)piperazin-1-yl]butanimidamide
CID 60914347
2-(3,3-Dimethylmorpholin-4-yl)ethanimidamide
CID 61432587
2-[4-(2-Hydroxyethyl)piperazin-1-yl]propanimidamide
CID 61692213
2-[4-(2-Hydroxyethyl)piperazin-1-yl]butanimidamide
CID 61697482
2-[(1-Hydroxy-2-methylpropan-2-yl)-methylamino]butanimidamide
CID 116115867
2-[(1-Hydroxy-2-methylpropan-2-yl)-methylamino]propanimidamide
CID 116115868
2-[(1-Hydroxy-2-methylpropan-2-yl)-methylamino]ethanimidamide
CID 116115872

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide?
The IUPAC name of 2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide (CID 91007701) is 2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for 2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for 2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide is [H]/N=C(\N)CN1CCN(C(C)(C)CO)CC1.
What is the InChIKey of 2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide?
The InChIKey is FRPVSNLYXYMKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-10(2,8-15)14-5-3-13(4-6-14)7-9(11)12/h15H,3-8H2,1-2H3,(H3,11,12).
What are the key properties of 2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide?
2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide has a molecular weight of 214.31 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 91007701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).