4-(oxan-4-yl)piperazine-1-carboximidamide

C10H20N4O — CID 121201865

IUPAC4-(oxan-4-yl)piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C10H20N4O/c11-10(12)14-5-3-13(4-6-14)9-1-7-15-8-2-9/h9H,1-8H2,(H3,11,12)
InChIKeyWEIMVOUXPHBYMM-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.32
Rot. Bonds1

About 4-(oxan-4-yl)piperazine-1-carboximidamide

4-(oxan-4-yl)piperazine-1-carboximidamide (PubChem CID 121201865) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-(oxan-4-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(oxan-4-yl)piperazine-1-carboximidamide
PubChem CID121201865
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name4-(oxan-4-yl)piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C10H20N4O/c11-10(12)14-5-3-13(4-6-14)9-1-7-15-8-2-9/h9H,1-8H2,(H3,11,12)
InChIKeyWEIMVOUXPHBYMM-UHFFFAOYSA-N
XLogP-0.32
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(thiolan-3-yl)piperazine-1-carboximidamide
CID 121201882
2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119891927
2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide
CID 63170598
4-acetylpiperazine-1-carboximidamide;hydrochloride
CID 66718935
4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one
CID 120565746
(2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 119947314
4-(oxepan-4-yl)morpholine
CID 131201603
(4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine
CID 63176602
(3S)-3-fluoropyrrolidine-1-carboximidamide
CID 129494117
4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide
CID 121202468
4-(2-fluoroethyl)piperidine-1-carboximidamide
CID 121201056
4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide
CID 142657807

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)piperazine-1-carboximidamide?
The IUPAC name of 4-(oxan-4-yl)piperazine-1-carboximidamide (CID 121201865) is 4-(oxan-4-yl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(oxan-4-yl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(oxan-4-yl)piperazine-1-carboximidamide is [H]/N=C(\N)N1CCN(C2CCOCC2)CC1.
What is the InChIKey of 4-(oxan-4-yl)piperazine-1-carboximidamide?
The InChIKey is WEIMVOUXPHBYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c11-10(12)14-5-3-13(4-6-14)9-1-7-15-8-2-9/h9H,1-8H2,(H3,11,12).
What are the key properties of 4-(oxan-4-yl)piperazine-1-carboximidamide?
4-(oxan-4-yl)piperazine-1-carboximidamide has a molecular weight of 212.30 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 121201865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).