2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide

C12H24N4O — CID 76915724

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N1CCN(CC2CC2)CC1
InChIInChI=1S/C12H24N4O/c1-2-11(12(13)14-17)16-7-5-15(6-8-16)9-10-3-4-10/h10-11,17H,2-9H2,1H3,(H2,13,14)
InChIKeySFGZYJFQANMHKM-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.54
Rot. Bonds5

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide

2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide (PubChem CID 76915724) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
PubChem CID76915724
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N1CCN(CC2CC2)CC1
InChIInChI=1S/C12H24N4O/c1-2-11(12(13)14-17)16-7-5-15(6-8-16)9-10-3-4-10/h10-11,17H,2-9H2,1H3,(H2,13,14)
InChIKeySFGZYJFQANMHKM-UHFFFAOYSA-N
XLogP0.54
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide (CID 76915724) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide is CCC(C(N)=NO)N1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The InChIKey is SFGZYJFQANMHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-2-11(12(13)14-17)16-7-5-15(6-8-16)9-10-3-4-10/h10-11,17H,2-9H2,1H3,(H2,13,14).
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide has a molecular weight of 240.35 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76915724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).